INFO: Using directory: "1" INFO: Using existing c-file: ./ILL_H5_new.c INFO: Using existing binary: ./ILL_H5_new.out INFO: === Simulation 'ILL_H5_new' (/home/nexmap/pkwi/TESTS/2024-06-17/mcstas-3.x-dev_Linux/ILL_H5_new/ILL_H5_new.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H5_new: ThALES: A1=38.7506 [deg] RMV=1.49348 [m] RMH=3.81195 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: D16: A1=56.5716 [deg] RMV=2.44407 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5_new: SuperADAM: A1=40.9756 [deg] RMV=2.36899 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5_new: WASP: nu=2972.23 [rpm] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5_new: IN15: nu=21774.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5_new: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize Source_gen: component HCS (square 0.1 x 0.1) focusing distance dist=2.155 area=0.17 x 0.12 spectra 0.500 to 9.500 AA (0.906 to 327.240 meV) T1=40.1 K (4.865 AA), T2=145.8 K (2.552 AA), T3=413.5 K (1.515 AA) Flux is dPhi/dlambda in [n/s/cm2]. Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize [ILL_H5_new] Initialize Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al: Reading 26 rows from Al.laz PowderN: HCS_Al: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_4: Reading 26 rows from Al.laz PowderN: HCS_Al_4: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_4: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_5: Reading 26 rows from Al.laz PowderN: HCS_Al_5: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_5: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_6: Reading 26 rows from Al.laz PowderN: HCS_Al_6: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_6: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_7: Reading 26 rows from Al.laz PowderN: HCS_Al_7: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_7: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: H53_Al: Reading 26 rows from Al.laz PowderN: H53_Al: Read 26 reflections from file 'Al.laz' PowderN: H53_Al: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_17: Reading 26 rows from Al.laz PowderN: HCS_Al_17: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_17: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_19: Reading 26 rows from Al.laz PowderN: HCS_Al_19: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_19: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_21: Reading 26 rows from Al.laz PowderN: HCS_Al_21: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_21: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Component: H53_Nose (Guide_tapering) Height at the guide exit (h2): 0.120000 Component: H53_Nose (Guide_tapering) Width at the guide exit (w2): 0.030552 Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_23: Reading 26 rows from Al.laz PowderN: HCS_Al_23: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_23: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/HOPG.rfl' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/HOPG.trm' (Table_Read_Offset) Isotropic_Sqw: H53_ThALES_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: H53_ThALES_Sample: Temperature set to T=350 [K] Isotropic_Sqw: H53_ThALES_Sample: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: H53_ThALES_Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H53_ThALES_Sample: Generated Rb_liq_coh.sqw coherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.887933 size=[101x10185] sigma=6.32 [barns] normalization factor S(q,w)*0.477012 (auto) \int q^2 S(q) dq=698.369 Isotropic_Sqw: H53_ThALES_Sample: Using Isotropic elastic incoherent scattering (sigma=0.5 [barns]) Isotropic_Sqw: H53_ThALES_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_48: Reading 26 rows from Al.laz PowderN: HCS_Al_48: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_48: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_50: Reading 26 rows from Al.laz PowderN: HCS_Al_50: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_50: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_64: Reading 26 rows from Al.laz PowderN: HCS_Al_64: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_64: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_82: Reading 26 rows from Al.laz PowderN: HCS_Al_82: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_82: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_84: Reading 26 rows from Al.laz PowderN: HCS_Al_84: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_84: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_108: Reading 26 rows from Al.laz PowderN: HCS_Al_108: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_108: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_112: Reading 26 rows from Al.laz PowderN: HCS_Al_112: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_112: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Reusing input file 'HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: H521_D16_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/H2O_liq.qSq' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/H2O_liq.qSq' (Table_Read_Offset) Isotropic_Sqw: H521_D16_Sample: Computing scattering unit density V_rho=0.0332279 [AA^-3] from density=0.994 [g/cm^3] weight=18.015 [g/mol]. Isotropic_sqw: Converting 150 S(q) from H2O_liq.qSq into S(q,w) data Isotropic_sqw: q range [0:14.8], creating 150 elements vector Isotropic_Sqw: H521_D16_Sample: Temperature set to T=293 [K] Isotropic_Sqw: H521_D16_Sample: Applying exp(hw/2kT) factor with T=293 [K] on H2O_liq.qSq file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H521_D16_Sample: Generated H2O_liq.qSq coherent Sqw q=[0:14.8 Angs-1] w=[0:0 meV] |S|=1.49025 size=[152x1] sigma=7.751 [barns] Mainly elastic scattering. Isotropic_Sqw: H521_D16_Sample: Using Isotropic elastic incoherent scattering (sigma=160.521 [barns]) Isotropic_Sqw: H521_D16_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_125: Reading 26 rows from Al.laz PowderN: HCS_Al_125: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_125: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_128: Reading 26 rows from Al.laz PowderN: HCS_Al_128: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_128: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Reusing input file 'HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: H521_SADAM_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/SiO2_quartza.laz' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/SiO2_quartza.laz' (Table_Read_Offset) Isotropic_sqw: Converting 625 powder lines from SiO2_quartza.laz into S(q,w) data Isotropic_sqw: q range [0:12.4939], creating 25254 elements vector Isotropic_Sqw: H521_SADAM_Sample: Generated SiO2_quartza.laz coherent Sqw q=[0:12.4934 Angs-1] w=[0:0 meV] |S|=0.00187179 size=[25254x1] sigma=31.875 [barns] Mainly elastic scattering. Isotropic_Sqw: H521_SADAM_Sample: Using Isotropic elastic incoherent scattering (sigma=0.0168 [barns]) Isotropic_Sqw: H521_SADAM_Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: H521_SADAM_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_150: Reading 26 rows from Al.laz PowderN: HCS_Al_150: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_150: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_152: Reading 26 rows from Al.laz PowderN: HCS_Al_152: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_152: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_178: Reading 26 rows from Al.laz PowderN: HCS_Al_178: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_178: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_182: Reading 26 rows from Al.laz PowderN: HCS_Al_182: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_182: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_184: Reading 26 rows from Al.laz PowderN: HCS_Al_184: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_184: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Incoherent: H522_WASP_Sample: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_207: Reading 26 rows from Al.laz PowderN: HCS_Al_207: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_207: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_209: Reading 26 rows from Al.laz PowderN: HCS_Al_209: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_209: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_230: Reading 26 rows from Al.laz PowderN: HCS_Al_230: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_230: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_246: Reading 26 rows from Al.laz PowderN: HCS_Al_246: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_246: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_248: Reading 26 rows from Al.laz PowderN: HCS_Al_248: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_248: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_H51: Reading 26 rows from Al.laz PowderN: HCS_Al_H51: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_H51: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_265: Reading 26 rows from Al.laz PowderN: HCS_Al_265: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_265: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz PowderN: HCS_Al_267: hollow sample thickness is larger than its volume (box). WARNING Please check parameter values. Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_267: Reading 26 rows from Al.laz PowderN: HCS_Al_267: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_267: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Incoherent: H511_IN15_Sample: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_H512: Reading 26 rows from Al.laz PowderN: HCS_Al_H512: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_H512: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz PowderN: HCS_Al_299: hollow sample thickness is larger than its volume (box). WARNING Please check parameter values. Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_299: Reading 26 rows from Al.laz PowderN: HCS_Al_299: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_299: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz PowderN: HCS_Al_304: hollow sample thickness is larger than its volume (box). WARNING Please check parameter values. Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_304: Reading 26 rows from Al.laz PowderN: HCS_Al_304: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_304: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_306: Reading 26 rows from Al.laz PowderN: HCS_Al_306: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_306: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Isotropic_Sqw: H51_D22_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/H2O_liq.qSq' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/H2O_liq.qSq' (Table_Read_Offset) Isotropic_Sqw: H51_D22_Sample: Computing scattering unit density V_rho=0.0332279 [AA^-3] from density=0.994 [g/cm^3] weight=18.015 [g/mol]. Isotropic_sqw: Converting 150 S(q) from H2O_liq.qSq into S(q,w) data Isotropic_sqw: q range [0:14.8], creating 150 elements vector Isotropic_Sqw: H51_D22_Sample: Temperature set to T=293 [K] Isotropic_Sqw: H51_D22_Sample: Applying exp(hw/2kT) factor with T=293 [K] on H2O_liq.qSq file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H51_D22_Sample: Generated H2O_liq.qSq coherent Sqw q=[0:14.8 Angs-1] w=[0:0 meV] |S|=1.49025 size=[152x1] sigma=7.751 [barns] Mainly elastic scattering. Isotropic_Sqw: H51_D22_Sample: Using Isotropic elastic incoherent scattering (sigma=160.521 [barns]) Isotropic_Sqw: H51_D22_Sample: Focusing can only apply for single scattering. Setting to order=1. Trace ETA (16 MPI processes) 38 [s] 28 % 30 % 40 % 50 % 60 % 70 % 80 % 90 % *** TRACE end *** Save [ILL_H5_new] Detector: H5_I=1.03204e+14 H5_ERR=2.3898e+10 H5_N=3.87588e+07 "H5_1718577960.x_y" Detector: H53_origin_I=1.47151e+13 H53_origin_ERR=8.97324e+09 H53_origin_N=6.0529e+06 "H53_origin_1718577960.hd_vd" Detector: H52_origin_I=1.58485e+13 H52_origin_ERR=9.32652e+09 H52_origin_N=6.49895e+06 "H52_origin_1718577960.hd_vd" Detector: H51_origin_I=1.05268e+13 H51_origin_ERR=7.57585e+09 H51_origin_N=4.37202e+06 "H51_origin_1718577960.hd_vd" Detector: H53_Obt_Out_I=4.22747e+12 H53_Obt_Out_ERR=4.07787e+09 H53_Obt_Out_N=5.41773e+06 "H53_Obt_Out_1718577960.x_y" Detector: H53_ThALES_Monochromator_Cradle_I=1.915e+12 H53_ThALES_Monochromator_Cradle_ERR=2.76528e+09 H53_ThALES_Monochromator_Cradle_N=1.70213e+06 "H53_ThALES_Monochromator_Cradle_1718577960.x_y" Detector: H53_ThALES_Sample_Div_I=8.10702e+09 H53_ThALES_Sample_Div_ERR=2.03228e+08 H53_ThALES_Sample_Div_N=2809 "H53_ThALES_Sample_Div_1718577960.hd_vd" Detector: H53_ThALES_Sample_XY_I=1.67324e+10 H53_ThALES_Sample_XY_ERR=2.94036e+08 H53_ThALES_Sample_XY_N=6098 "H53_ThALES_Sample_XY_1718577960.x_y" Detector: H53_ThALES_Sample_L_I=1.64847e+10 H53_ThALES_Sample_L_ERR=2.92472e+08 H53_ThALES_Sample_L_N=5927 "H53_ThALES_Sample_L_1718577960.L" Detector: H53_ThALES_Spectrometer_I=2.2033e+07 H53_ThALES_Spectrometer_ERR=4.51483e+06 H53_ThALES_Spectrometer_N=41 "H53_ThALES_Spectrometer_1718577961.A_E" Detector: H53_ThALES_Diffractometer_I=1.61378e+07 H53_ThALES_Diffractometer_ERR=4.78242e+06 H53_ThALES_Diffractometer_N=25 "H53_ThALES_Diffractometer_1718577961.th_y" Detector: He3H_I=0 He3H_ERR=0 He3H_N=0 "He3H.dat" Detector: H53_ThALES_TransmitXY_I=7.86299e+11 H53_ThALES_TransmitXY_ERR=1.74517e+09 H53_ThALES_TransmitXY_N=557664 "H53_ThALES_TransmitXY_1718577961.x_L" Detector: H52_Obt_Out_I=4.47418e+12 H52_Obt_Out_ERR=4.2078e+09 H52_Obt_Out_N=3.99913e+06 "H52_Obt_Out_1718577961.x_y" Detector: H52_Common_Out_I=4.91752e+12 H52_Common_Out_ERR=4.35587e+09 H52_Common_Out_N=4.51762e+06 "H52_Common_Out.dat" Detector: H523_origin_I=1.10025e+12 H523_origin_ERR=1.99092e+09 H523_origin_N=1.07068e+06 "H523_origin_1718577961.hd_vd" Detector: H521_origin_I=1.35833e+12 H521_origin_ERR=2.34989e+09 H521_origin_N=1.17856e+06 "H521_origin_1718577961.hd_vd" Detector: H522_origin_I=2.45868e+12 H522_origin_ERR=3.08023e+09 H522_origin_N=2.24949e+06 "H522_origin_1718577961.hd_vd" Detector: H521_VTE_I=1.15349e+12 H521_VTE_ERR=2.03645e+09 H521_VTE_N=1.09662e+06 "H521_VTE_1718577961.x_y" Detector: H521_Curved_Out_I=1.01261e+12 H521_Curved_Out_ERR=1.89109e+09 H521_Curved_Out_N=963345 "H521_Curved_Out_1718577961.x_y" Detector: H521_Straight_Out_I=9.95572e+11 H521_Straight_Out_ERR=1.86635e+09 H521_Straight_Out_N=959638 "H521_Straight_Out_1718577961.x_y" Detector: H521_D16_Monochromator_Cradle_I=7.78574e+11 H521_D16_Monochromator_Cradle_ERR=1.689e+09 H521_D16_Monochromator_Cradle_N=715869 "H521_D16_Monochromator_Cradle_1718577961.x_y" Detector: H521_D16_Sample_Div_I=1.29468e+09 H521_D16_Sample_Div_ERR=7.38287e+07 H521_D16_Sample_Div_N=850 "H521_D16_Sample_Div_1718577961.hd_vd" Detector: H521_D16_Sample_XY_I=3.9756e+09 H521_D16_Sample_XY_ERR=1.27657e+08 H521_D16_Sample_XY_N=2694 "H521_D16_Sample_XY_1718577961.x_y" Detector: H521_D16_Sample_L_I=3.97302e+09 H521_D16_Sample_L_ERR=1.27635e+08 H521_D16_Sample_L_N=2674 "H521_D16_Sample_L_1718577961.L" Detector: H521_D16_Detector_I=7.37062e+06 H521_D16_Detector_ERR=5.99154e+06 H521_D16_Detector_N=7 "H521_D16_Detector_1718577961.x_y" Detector: H521_D16_Spectrometer_I=7.154e+07 H521_D16_Spectrometer_ERR=1.4309e+07 H521_D16_Spectrometer_N=116 "H521_D16_Spectrometer_1718577961.A_E" Detector: H521_D16_Diffractometer_I=3.54659e+07 H521_D16_Diffractometer_ERR=8.22816e+06 H521_D16_Diffractometer_N=73 "H521_D16_Diffractometer_1718577961.th_y" Detector: H521_SADAM_Monochromator_Cradle_I=8.66156e+11 H521_SADAM_Monochromator_Cradle_ERR=1.85886e+09 H521_SADAM_Monochromator_Cradle_N=728870 "H521_SADAM_Monochromator_Cradle_1718577961.x_y" Detector: H521_SADAM_Sample_Div_I=1.56598e+09 H521_SADAM_Sample_Div_ERR=8.53838e+07 H521_SADAM_Sample_Div_N=690 "H521_SADAM_Sample_Div_1718577961.hd_vd" Detector: H521_SADAM_Sample_XY_I=4.63414e+09 H521_SADAM_Sample_XY_ERR=1.42557e+08 H521_SADAM_Sample_XY_N=2108 "H521_SADAM_Sample_XY_1718577961.x_y" Detector: H521_SADAM_Sample_L_I=4.62956e+09 H521_SADAM_Sample_L_ERR=1.42484e+08 H521_SADAM_Sample_L_N=2087 "H521_SADAM_Sample_L_1718577961.L" Detector: H521_SADAM_Detector_I=0 H521_SADAM_Detector_ERR=0 H521_SADAM_Detector_N=0 "H521_SADAM_Detector_1718577964.x_y" Detector: H521_SADAM_Spectrometer_I=7.83528e+06 H521_SADAM_Spectrometer_ERR=2.40407e+06 H521_SADAM_Spectrometer_N=12 "H521_SADAM_Spectrometer_1718577964.A_E" Detector: H521_SADAM_Diffractometer_I=7.18751e+06 H521_SADAM_Diffractometer_ERR=2.32282e+06 H521_SADAM_Diffractometer_N=12 "H521_SADAM_Diffractometer_1718577964.th_y" Detector: H522_VTE_I=2.20524e+12 H522_VTE_ERR=2.86089e+09 H522_VTE_N=2.10505e+06 "H522_VTE_1718577964.x_y" Detector: H522_Curved_Out_XY_I=1.90164e+12 H522_Curved_Out_XY_ERR=2.59989e+09 H522_Curved_Out_XY_N=1.86881e+06 "H522_Curved_Out_XY_1718577964.x_y" Detector: H522_Curved_Out_XL_I=1.90045e+12 H522_Curved_Out_XL_ERR=2.5989e+09 H522_Curved_Out_XL_N=1.86597e+06 "H522_Curved_Out_XL_1718577964.x_L" Detector: H522_Vsel_L_I=7.14737e+10 H522_Vsel_L_ERR=2.18075e+08 H522_Vsel_L_N=296670 "H522_Vsel_L_1718577964.L" Detector: H522_mirror_ReflectXY_I=1.97377e+10 H522_mirror_ReflectXY_ERR=8.61633e+07 H522_mirror_ReflectXY_N=99827 "H522_mirror_ReflectXY.dat" Detector: H522_mirror_TransmitXY_I=1.83061e+10 H522_mirror_TransmitXY_ERR=3.47002e+08 H522_mirror_TransmitXY_N=5271 "H522_mirror_TransmitXY.dat" Detector: H522_mirror_outdXY_I=1.97377e+10 H522_mirror_outdXY_ERR=8.61633e+07 H522_mirror_outdXY_N=99827 "H522_mirror_outdXY_1718577964.hd_vd" Detector: H522_WASP_Sample_Div_I=2.12943e+08 H522_WASP_Sample_Div_ERR=9.07556e+06 H522_WASP_Sample_Div_N=1138 "H522_WASP_Sample_Div_1718577964.hd_vd" Detector: H522_WASP_Sample_XY_I=2.12943e+08 H522_WASP_Sample_XY_ERR=9.07556e+06 H522_WASP_Sample_XY_N=1138 "H522_WASP_Sample_XY_1718577964.x_y" Detector: H522_WASP_Sample_L_I=2.12943e+08 H522_WASP_Sample_L_ERR=9.07556e+06 H522_WASP_Sample_L_N=1138 "H522_WASP_Sample_L_1718577964.L" Detector: H522_WASP_Detector_I=32.4138 H522_WASP_Detector_ERR=27.0721 H522_WASP_Detector_N=4 "H522_WASP_Detector_1718577964.x_y" Detector: H522_WASP_Spectrometer_I=155360 H522_WASP_Spectrometer_ERR=26522.9 H522_WASP_Spectrometer_N=349 "H522_WASP_Spectrometer_1718577964.A_E" Detector: H522_WASP_Diffractometer_I=137027 H522_WASP_Diffractometer_ERR=25356.6 H522_WASP_Diffractometer_N=296 "H522_WASP_Diffractometer_1718577964.th_y" Detector: H523_VTE_I=5.29163e+11 H523_VTE_ERR=1.10562e+09 H523_VTE_N=970951 "H523_VTE_1718577964.x_y" Detector: H523_CryoEDM_In_L_I=2.90471e+11 H523_CryoEDM_In_L_ERR=6.90841e+08 H523_CryoEDM_In_L_N=793461 "H523_CryoEDM_In_L_1718577964.L" Detector: H523_CryoEDM_mirror_ReflectXY_I=1.25898e+10 H523_CryoEDM_mirror_ReflectXY_ERR=6.25463e+07 H523_CryoEDM_mirror_ReflectXY_N=138791 "H523_CryoEDM_mirror_ReflectXY.dat" Detector: H523_CryoEDM_mirror_TransmitXY_I=5.59324e+10 H523_CryoEDM_mirror_TransmitXY_ERR=1.4554e+09 H523_CryoEDM_mirror_TransmitXY_N=7261 "H523_CryoEDM_mirror_TransmitXY.dat" Detector: H523_CryoEDM_Sample_L_I=1.96099e+10 H523_CryoEDM_Sample_L_ERR=7.60199e+07 H523_CryoEDM_Sample_L_N=238127 "H523_CryoEDM_Sample_L_1718577964.L" Detector: H523_CryoEDM_Sample_Div_I=1.94629e+10 H523_CryoEDM_Sample_Div_ERR=7.58381e+07 H523_CryoEDM_Sample_Div_N=230664 "H523_CryoEDM_Sample_Div_1718577964.hd_vd" Detector: H523_CryoEDM_Sample_XY_I=1.96099e+10 H523_CryoEDM_Sample_XY_ERR=7.60199e+07 H523_CryoEDM_Sample_XY_N=238146 "H523_CryoEDM_Sample_XY_1718577964.x_y" Detector: H51_Obt_Out_I=1.02802e+12 H51_Obt_Out_ERR=2.11503e+09 H51_Obt_Out_N=2.35298e+06 "H51_Obt_Out_1718577964.x_y" Detector: H51_S2_Out_I=7.12992e+11 H51_S2_Out_ERR=1.7522e+09 H51_S2_Out_N=1.95937e+06 "H51_S2_Out_1718577964.x_y" Detector: H51_split_2_I=3.2778e+11 H51_split_2_ERR=1.1861e+09 H51_split_2_N=899878 "H51_split_2_1718577964.x_y" Detector: H51_split_1_I=3.28932e+11 H51_split_1_ERR=1.19187e+09 H51_split_1_N=899817 "H51_split_1_1718577964.x_y" Detector: H511_mirror_ReflectXY_I=3.23631e+10 H511_mirror_ReflectXY_ERR=1.28817e+08 H511_mirror_ReflectXY_N=298098 "H511_mirror_ReflectXY.dat" Detector: H511_mirror_TransmitXY_I=1.94553e+11 H511_mirror_TransmitXY_ERR=4.35621e+09 H511_mirror_TransmitXY_N=15762 "H511_mirror_TransmitXY.dat" Detector: H511_mirror_outdXY_I=3.23631e+10 H511_mirror_outdXY_ERR=1.28817e+08 H511_mirror_outdXY_N=298098 "H511_mirror_outdXY_1718577964.hd_vd" Detector: H511_VTE_I=2.52244e+10 H511_VTE_ERR=1.1713e+08 H511_VTE_N=302264 "H511_VTE_1718577964.x_y" Detector: H511_IN15_Sample_Div_I=3.04181e+08 H511_IN15_Sample_Div_ERR=6.42696e+06 H511_IN15_Sample_Div_N=5486 "H511_IN15_Sample_Div_1718577964.hd_vd" Detector: H511_IN15_Sample_XY_I=3.04181e+08 H511_IN15_Sample_XY_ERR=6.42696e+06 H511_IN15_Sample_XY_N=5508 "H511_IN15_Sample_XY_1718577964.x_y" Detector: H511_IN15_Sample_L_I=3.04181e+08 H511_IN15_Sample_L_ERR=6.42696e+06 H511_IN15_Sample_L_N=5508 "H511_IN15_Sample_L_1718577964.L" Detector: H511_IN15_Detector_I=735.957 H511_IN15_Detector_ERR=626.824 H511_IN15_Detector_N=5 "H511_IN15_Detector_1718577964.x_y" Detector: H511_IN15_Spectrometer_I=1.21208e+06 H511_IN15_Spectrometer_ERR=46434.9 H511_IN15_Spectrometer_N=2731 "H511_IN15_Spectrometer_1718577964.A_E" Detector: H511_IN15_Diffractometer_I=716369 H511_IN15_Diffractometer_ERR=35728.8 H511_IN15_Diffractometer_N=1601 "H511_IN15_Diffractometer_1718577964.th_y" Detector: H512_VTE_I=1.71632e+11 H512_VTE_ERR=7.13023e+08 H512_VTE_N=835117 "H512_VTE_1718577964.x_y" Detector: D22_PreV_I=1.41925e+11 D22_PreV_ERR=6.96358e+08 D22_PreV_N=586493 "D22_PreV_1718577964.x_y" Detector: H51_D22_Sample_Div_I=4.02711e+09 H51_D22_Sample_Div_ERR=8.71651e+07 H51_D22_Sample_Div_N=6534 "H51_D22_Sample_Div_1718577964.hd_vd" Detector: H51_D22_Sample_XY_I=4.02711e+09 H51_D22_Sample_XY_ERR=8.71651e+07 H51_D22_Sample_XY_N=6534 "H51_D22_Sample_XY_1718577964.x_y" Detector: H51_D22_Sample_L_I=4.02711e+09 H51_D22_Sample_L_ERR=8.71651e+07 H51_D22_Sample_L_N=6534 "H51_D22_Sample_L_1718577964.L" Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Detector: D22_Detector_I=2.32576e+07 D22_Detector_ERR=2.65105e+06 D22_Detector_N=232 "D22_Detector_1718577964.x_y" Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Finally [ILL_H5_new: 1]. Time: 37 [s] Isotropic_Sqw: H53_ThALES_Sample: 114 neutron events (out of 164) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H53_ThALES_Sample: Scattering fraction=0.0522499 of incoming intensity Absorption fraction =0.0930593 Single scattering intensity =3.10517e+07 (coh=3.01045e+07 inc=947165) Multiple scattering intensity =0 Isotropic_Sqw: H521_D16_Sample: 2 neutron events (out of 152) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H521_D16_Sample: Scattering fraction=0.95756 of incoming intensity Absorption fraction =0.00793153 Single scattering intensity =8.52334e+07 (coh=1.96898e+07 inc=6.55436e+07) Multiple scattering intensity =0 Isotropic_Sqw: H521_SADAM_Sample: Scattering fraction=0.118611 of incoming intensity Absorption fraction =0.0682313 Single scattering intensity =1.38965e+07 (coh=1.38965e+07 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: H51_D22_Sample: 4 neutron events (out of 3181) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H51_D22_Sample: Scattering fraction=0.969376 of incoming intensity Absorption fraction =0.00978642 Single scattering intensity =3.45353e+08 (coh=1.77749e+07 inc=3.27578e+08) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2024-06-17/mcstas-3.x-dev_Linux/ILL_H5_new/ILL_H5_new.instr in dataset 1