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/2024-11-23/ANTLR_mpi_x_16_1e7_Linux_1e7/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: 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] 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 [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) 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_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) 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 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 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) 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_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 end *** Save [ILL_H5_new] Detector: H5_I=1.03263e+14 H5_ERR=5.3457e+10 H5_N=7.75152e+06 "H5_1732332208.x_y" Detector: H53_origin_I=1.46989e+13 H53_origin_ERR=2.00556e+10 H53_origin_N=1.2097e+06 "H53_origin_1732332208.hd_vd" Detector: H52_origin_I=1.5859e+13 H52_origin_ERR=2.08659e+10 H52_origin_N=1.29858e+06 "H52_origin_1732332208.hd_vd" Detector: H51_origin_I=1.05316e+13 H51_origin_ERR=1.69381e+10 H51_origin_N=874884 "H51_origin_1732332208.hd_vd" Detector: H53_Obt_Out_I=4.21541e+12 H53_Obt_Out_ERR=9.0891e+09 H53_Obt_Out_N=1.08244e+06 "H53_Obt_Out_1732332208.x_y" Detector: H53_ThALES_Monochromator_Cradle_I=1.90573e+12 H53_ThALES_Monochromator_Cradle_ERR=6.15243e+09 H53_ThALES_Monochromator_Cradle_N=340700 "H53_ThALES_Monochromator_Cradle_1732332208.x_y" Detector: H53_ThALES_Sample_Div_I=8.14437e+09 H53_ThALES_Sample_Div_ERR=4.6493e+08 H53_ThALES_Sample_Div_N=537 "H53_ThALES_Sample_Div_1732332208.hd_vd" Detector: H53_ThALES_Sample_XY_I=1.65137e+10 H53_ThALES_Sample_XY_ERR=6.63701e+08 H53_ThALES_Sample_XY_N=1195 "H53_ThALES_Sample_XY_1732332208.x_y" Detector: H53_ThALES_Sample_L_I=1.63559e+10 H53_ThALES_Sample_L_ERR=6.61562e+08 H53_ThALES_Sample_L_N=1169 "H53_ThALES_Sample_L_1732332208.L" Detector: H53_ThALES_Spectrometer_I=1.77582e+07 H53_ThALES_Spectrometer_ERR=7.07995e+06 H53_ThALES_Spectrometer_N=8 "H53_ThALES_Spectrometer_1732332210.A_E" Detector: H53_ThALES_Diffractometer_I=2.71035e+07 H53_ThALES_Diffractometer_ERR=1.87841e+07 H53_ThALES_Diffractometer_N=5 "H53_ThALES_Diffractometer_1732332210.th_y" Detector: He3H_I=0 He3H_ERR=0 He3H_N=0 "He3H.dat" Detector: H53_ThALES_TransmitXY_I=7.7896e+11 H53_ThALES_TransmitXY_ERR=3.87824e+09 H53_ThALES_TransmitXY_N=111515 "H53_ThALES_TransmitXY_1732332210.x_L" Detector: H52_Obt_Out_I=4.47144e+12 H52_Obt_Out_ERR=9.40979e+09 H52_Obt_Out_N=798355 "H52_Obt_Out_1732332210.x_y" Detector: H52_Common_Out_I=4.91631e+12 H52_Common_Out_ERR=9.74086e+09 H52_Common_Out_N=902330 "H52_Common_Out.dat" Detector: H523_origin_I=1.10017e+12 H523_origin_ERR=4.45021e+09 H523_origin_N=214287 "H523_origin_1732332210.hd_vd" Detector: H521_origin_I=1.36369e+12 H521_origin_ERR=5.27261e+09 H521_origin_N=235295 "H521_origin_1732332210.hd_vd" Detector: H522_origin_I=2.45218e+12 H522_origin_ERR=6.87602e+09 H522_origin_N=448907 "H522_origin_1732332210.hd_vd" Detector: H521_VTE_I=1.15596e+12 H521_VTE_ERR=4.56124e+09 H521_VTE_N=218878 "H521_VTE_1732332210.x_y" Detector: H521_Curved_Out_I=1.01399e+12 H521_Curved_Out_ERR=4.23438e+09 H521_Curved_Out_N=192162 "H521_Curved_Out_1732332210.x_y" Detector: H521_Straight_Out_I=9.96673e+11 H521_Straight_Out_ERR=4.17838e+09 H521_Straight_Out_N=191426 "H521_Straight_Out_1732332210.x_y" Detector: H521_D16_Monochromator_Cradle_I=7.78406e+11 H521_D16_Monochromator_Cradle_ERR=3.77917e+09 H521_D16_Monochromator_Cradle_N=142651 "H521_D16_Monochromator_Cradle_1732332210.x_y" Detector: H521_D16_Sample_Div_I=1.35067e+09 H521_D16_Sample_Div_ERR=1.73442e+08 H521_D16_Sample_Div_N=181 "H521_D16_Sample_Div_1732332210.hd_vd" Detector: H521_D16_Sample_XY_I=4.43451e+09 H521_D16_Sample_XY_ERR=3.04656e+08 H521_D16_Sample_XY_N=591 "H521_D16_Sample_XY_1732332210.x_y" Detector: H521_D16_Sample_L_I=4.43451e+09 H521_D16_Sample_L_ERR=3.04657e+08 H521_D16_Sample_L_N=586 "H521_D16_Sample_L_1732332210.L" Detector: H521_D16_Detector_I=2.10232e-08 H521_D16_Detector_ERR=2.10232e-08 H521_D16_Detector_N=1 "H521_D16_Detector_1732332210.x_y" Detector: H521_D16_Spectrometer_I=4.53317e+07 H521_D16_Spectrometer_ERR=1.7073e+07 H521_D16_Spectrometer_N=20 "H521_D16_Spectrometer_1732332210.A_E" Detector: H521_D16_Diffractometer_I=3.68465e+07 H521_D16_Diffractometer_ERR=1.67826e+07 H521_D16_Diffractometer_N=13 "H521_D16_Diffractometer_1732332210.th_y" Detector: H521_SADAM_Monochromator_Cradle_I=8.65999e+11 H521_SADAM_Monochromator_Cradle_ERR=4.16086e+09 H521_SADAM_Monochromator_Cradle_N=145033 "H521_SADAM_Monochromator_Cradle_1732332210.x_y" Detector: H521_SADAM_Sample_Div_I=1.59371e+09 H521_SADAM_Sample_Div_ERR=1.99535e+08 H521_SADAM_Sample_Div_N=133 "H521_SADAM_Sample_Div_1732332210.hd_vd" Detector: H521_SADAM_Sample_XY_I=4.89945e+09 H521_SADAM_Sample_XY_ERR=3.44513e+08 H521_SADAM_Sample_XY_N=419 "H521_SADAM_Sample_XY_1732332210.x_y" Detector: H521_SADAM_Sample_L_I=4.89945e+09 H521_SADAM_Sample_L_ERR=3.44513e+08 H521_SADAM_Sample_L_N=416 "H521_SADAM_Sample_L_1732332210.L" Detector: H521_SADAM_Detector_I=0 H521_SADAM_Detector_ERR=0 H521_SADAM_Detector_N=0 "H521_SADAM_Detector_1732332212.x_y" Detector: H521_SADAM_Spectrometer_I=9.56911e+06 H521_SADAM_Spectrometer_ERR=5.53326e+06 H521_SADAM_Spectrometer_N=3 "H521_SADAM_Spectrometer_1732332212.A_E" Detector: H521_SADAM_Diffractometer_I=6.33026e+06 H521_SADAM_Diffractometer_ERR=4.48939e+06 H521_SADAM_Diffractometer_N=2 "H521_SADAM_Diffractometer_1732332212.th_y" Detector: H522_VTE_I=2.19905e+12 H522_VTE_ERR=6.38723e+09 H522_VTE_N=420118 "H522_VTE_1732332212.x_y" Detector: H522_Curved_Out_XY_I=1.89615e+12 H522_Curved_Out_XY_ERR=5.80143e+09 H522_Curved_Out_XY_N=373065 "H522_Curved_Out_XY_1732332212.x_y" Detector: H522_Curved_Out_XL_I=1.89504e+12 H522_Curved_Out_XL_ERR=5.79936e+09 H522_Curved_Out_XL_N=372516 "H522_Curved_Out_XL_1732332212.x_L" Detector: H522_Vsel_L_I=7.07023e+10 H522_Vsel_L_ERR=4.84154e+08 H522_Vsel_L_N=58999 "H522_Vsel_L_1732332212.L" Detector: H522_mirror_ReflectXY_I=1.93673e+10 H522_mirror_ReflectXY_ERR=1.90729e+08 H522_mirror_ReflectXY_N=19712 "H522_mirror_ReflectXY.dat" Detector: H522_mirror_TransmitXY_I=1.81695e+10 H522_mirror_TransmitXY_ERR=7.68869e+08 H522_mirror_TransmitXY_N=1050 "H522_mirror_TransmitXY.dat" Detector: H522_mirror_outdXY_I=1.93673e+10 H522_mirror_outdXY_ERR=1.90729e+08 H522_mirror_outdXY_N=19712 "H522_mirror_outdXY_1732332212.hd_vd" Detector: H522_WASP_Sample_Div_I=1.25077e+09 H522_WASP_Sample_Div_ERR=4.82863e+07 H522_WASP_Sample_Div_N=1297 "H522_WASP_Sample_Div_1732332212.hd_vd" Detector: H522_WASP_Sample_XY_I=1.25077e+09 H522_WASP_Sample_XY_ERR=4.82863e+07 H522_WASP_Sample_XY_N=1297 "H522_WASP_Sample_XY_1732332212.x_y" Detector: H522_WASP_Sample_L_I=1.25077e+09 H522_WASP_Sample_L_ERR=4.82863e+07 H522_WASP_Sample_L_N=1297 "H522_WASP_Sample_L_1732332212.L" Detector: H522_WASP_Detector_I=781.406 H522_WASP_Detector_ERR=756.191 H522_WASP_Detector_N=2 "H522_WASP_Detector_1732332212.x_y" Detector: H522_WASP_Spectrometer_I=1.53277e+06 H522_WASP_Spectrometer_ERR=221731 H522_WASP_Spectrometer_N=425 "H522_WASP_Spectrometer_1732332212.A_E" Detector: H522_WASP_Diffractometer_I=1.34093e+06 H522_WASP_Diffractometer_ERR=209169 H522_WASP_Diffractometer_N=349 "H522_WASP_Diffractometer_1732332212.th_y" Detector: H523_VTE_I=5.31342e+11 H523_VTE_ERR=2.48e+09 H523_VTE_N=194336 "H523_VTE_1732332212.x_y" Detector: H523_CryoEDM_In_L_I=2.91502e+11 H523_CryoEDM_In_L_ERR=1.54741e+09 H523_CryoEDM_In_L_N=158732 "H523_CryoEDM_In_L_1732332212.L" Detector: H523_CryoEDM_mirror_ReflectXY_I=1.24201e+10 H523_CryoEDM_mirror_ReflectXY_ERR=1.3859e+08 H523_CryoEDM_mirror_ReflectXY_N=27471 "H523_CryoEDM_mirror_ReflectXY.dat" Detector: H523_CryoEDM_mirror_TransmitXY_I=5.8818e+10 H523_CryoEDM_mirror_TransmitXY_ERR=3.16455e+09 H523_CryoEDM_mirror_TransmitXY_N=1539 "H523_CryoEDM_mirror_TransmitXY.dat" Detector: H523_CryoEDM_Sample_L_I=1.94527e+10 H523_CryoEDM_Sample_L_ERR=1.69081e+08 H523_CryoEDM_Sample_L_N=47540 "H523_CryoEDM_Sample_L_1732332212.L" Detector: H523_CryoEDM_Sample_Div_I=1.93041e+10 H523_CryoEDM_Sample_Div_ERR=1.68658e+08 H523_CryoEDM_Sample_Div_N=46027 "H523_CryoEDM_Sample_Div_1732332212.hd_vd" Detector: H523_CryoEDM_Sample_XY_I=1.94527e+10 H523_CryoEDM_Sample_XY_ERR=1.69081e+08 H523_CryoEDM_Sample_XY_N=47545 "H523_CryoEDM_Sample_XY_1732332212.x_y" Detector: H51_Obt_Out_I=1.02187e+12 H51_Obt_Out_ERR=4.71017e+09 H51_Obt_Out_N=470637 "H51_Obt_Out_1732332212.x_y" Detector: H51_S2_Out_I=7.09722e+11 H51_S2_Out_ERR=3.90909e+09 H51_S2_Out_N=391650 "H51_S2_Out_1732332212.x_y" Detector: H51_split_2_I=3.27387e+11 H51_split_2_ERR=2.65237e+09 H51_split_2_N=180097 "H51_split_2_1732332212.x_y" Detector: H51_split_1_I=3.25186e+11 H51_split_1_ERR=2.64881e+09 H51_split_1_N=179537 "H51_split_1_1732332212.x_y" Detector: H511_mirror_ReflectXY_I=3.20741e+10 H511_mirror_ReflectXY_ERR=2.86108e+08 H511_mirror_ReflectXY_N=59463 "H511_mirror_ReflectXY.dat" Detector: H511_mirror_TransmitXY_I=1.92745e+11 H511_mirror_TransmitXY_ERR=9.62613e+09 H511_mirror_TransmitXY_N=3130 "H511_mirror_TransmitXY.dat" Detector: H511_mirror_outdXY_I=3.20741e+10 H511_mirror_outdXY_ERR=2.86108e+08 H511_mirror_outdXY_N=59463 "H511_mirror_outdXY_1732332212.hd_vd" Detector: H511_VTE_I=2.51159e+10 H511_VTE_ERR=2.61081e+08 H511_VTE_N=60406 "H511_VTE_1732332212.x_y" Detector: H511_IN15_Sample_Div_I=1.44125e+09 H511_IN15_Sample_Div_ERR=3.1154e+07 H511_IN15_Sample_Div_N=5035 "H511_IN15_Sample_Div_1732332212.hd_vd" Detector: H511_IN15_Sample_XY_I=1.44125e+09 H511_IN15_Sample_XY_ERR=3.1154e+07 H511_IN15_Sample_XY_N=5035 "H511_IN15_Sample_XY_1732332212.x_y" Detector: H511_IN15_Sample_L_I=1.44125e+09 H511_IN15_Sample_L_ERR=3.1154e+07 H511_IN15_Sample_L_N=5035 "H511_IN15_Sample_L_1732332212.L" Detector: H511_IN15_Detector_I=5711.23 H511_IN15_Detector_ERR=4426.6 H511_IN15_Detector_N=6 "H511_IN15_Detector_1732332212.x_y" Detector: H511_IN15_Spectrometer_I=5.99093e+06 H511_IN15_Spectrometer_ERR=228815 H511_IN15_Spectrometer_N=2575 "H511_IN15_Spectrometer_1732332212.A_E" Detector: H511_IN15_Diffractometer_I=3.46951e+06 H511_IN15_Diffractometer_ERR=174858 H511_IN15_Diffractometer_N=1501 "H511_IN15_Diffractometer_1732332212.th_y" Detector: H512_VTE_I=1.72374e+11 H512_VTE_ERR=1.59788e+09 H512_VTE_N=167025 "H512_VTE_1732332212.x_y" Detector: D22_PreV_I=1.41637e+11 D22_PreV_ERR=1.54534e+09 D22_PreV_N=117551 "D22_PreV_1732332212.x_y" Detector: H51_D22_Sample_Div_I=4.34733e+09 H51_D22_Sample_Div_ERR=2.01865e+08 H51_D22_Sample_Div_N=1371 "H51_D22_Sample_Div_1732332212.hd_vd" Detector: H51_D22_Sample_XY_I=4.34733e+09 H51_D22_Sample_XY_ERR=2.01865e+08 H51_D22_Sample_XY_N=1371 "H51_D22_Sample_XY_1732332212.x_y" Detector: H51_D22_Sample_L_I=4.34733e+09 H51_D22_Sample_L_ERR=2.01865e+08 H51_D22_Sample_L_N=1371 "H51_D22_Sample_L_1732332212.L" Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Detector: D22_Detector_I=3.00113e+07 D22_Detector_ERR=6.75656e+06 D22_Detector_N=60 "D22_Detector_1732332212.x_y" Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Finally [ILL_H5_new: 1]. Time: 8 [s] Isotropic_Sqw: H53_ThALES_Sample: 24 neutron events (out of 33) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H53_ThALES_Sample: Scattering fraction=0.0465809 of incoming intensity Absorption fraction =0.0936604 Single scattering intensity =3.45316e+07 (coh=3.45316e+07 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: H521_D16_Sample: Scattering fraction=0.969916 of incoming intensity Absorption fraction =0.00798323 Single scattering intensity =7.56947e+07 (coh=0 inc=7.56947e+07) Multiple scattering intensity =0 Isotropic_Sqw: H521_SADAM_Sample: Scattering fraction=0.123907 of incoming intensity Absorption fraction =0.0765512 Single scattering intensity =9.56911e+06 (coh=9.56911e+06 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: H51_D22_Sample: Scattering fraction=0.972109 of incoming intensity Absorption fraction =0.00976304 Single scattering intensity =3.57579e+08 (coh=1.51412e+07 inc=3.42438e+08) Multiple scattering intensity =0 INFO: Placing instr file copy ILL_H5_new.instr in dataset 1 INFO: Placing generated c-code copy ILL_H5_new.c in dataset 1