INFO: Using directory: "1" INFO: Using existing c-file: ./ILL_H5_new.c INFO: Using existing binary: ./ILL_H5_new.out INFO: === 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 Simulation 'ILL_H5_new' (/home/nexmap/pkwi/TESTS/2025-05-14/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] 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 [ILL_H5_new] Initialize [ILL_H5_new] Initialize 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) 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) 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 [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) 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 Openi[ILL_H5_new] Initialize [ILL_H5_new] Initialize ng 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_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 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 end *** Save [ILL_H5_new] Detector: H5_I=1.03263e+14 H5_ERR=5.3457e+10 H5_N=7.75152e+06 "H5_1747205519.x_y" Detector: H53_origin_I=1.4699e+13 H53_origin_ERR=2.00557e+10 H53_origin_N=1.20972e+06 "H53_origin_1747205519.hd_vd" Detector: H52_origin_I=1.58592e+13 H52_origin_ERR=2.0866e+10 H52_origin_N=1.29859e+06 "H52_origin_1747205519.hd_vd" Detector: H51_origin_I=1.05317e+13 H51_origin_ERR=1.69382e+10 H51_origin_N=874884 "H51_origin_1747205519.hd_vd" Detector: H53_Obt_Out_I=4.21616e+12 H53_Obt_Out_ERR=9.09024e+09 H53_Obt_Out_N=1.08244e+06 "H53_Obt_Out_1747205519.x_y" Detector: H53_ThALES_Monochromator_Cradle_I=1.9038e+12 H53_ThALES_Monochromator_Cradle_ERR=6.14783e+09 H53_ThALES_Monochromator_Cradle_N=340665 "H53_ThALES_Monochromator_Cradle_1747205519.x_y" Detector: H53_ThALES_Sample_Div_I=8.63705e+09 H53_ThALES_Sample_Div_ERR=4.92401e+08 H53_ThALES_Sample_Div_N=563 "H53_ThALES_Sample_Div_1747205519.hd_vd" Detector: H53_ThALES_Sample_XY_I=1.68115e+10 H53_ThALES_Sample_XY_ERR=6.67763e+08 H53_ThALES_Sample_XY_N=1208 "H53_ThALES_Sample_XY_1747205519.x_y" Detector: H53_ThALES_Sample_L_I=1.6627e+10 H53_ThALES_Sample_L_ERR=6.64966e+08 H53_ThALES_Sample_L_N=1177 "H53_ThALES_Sample_L_1747205519.L" Detector: H53_ThALES_Spectrometer_I=2.54459e+07 H53_ThALES_Spectrometer_ERR=1.33187e+07 H53_ThALES_Spectrometer_N=8 "H53_ThALES_Spectrometer_1747205521.A_E" Detector: H53_ThALES_Diffractometer_I=1.8064e+07 H53_ThALES_Diffractometer_ERR=1.29369e+07 H53_ThALES_Diffractometer_N=5 "H53_ThALES_Diffractometer_1747205521.th_y" Detector: He3H_I=0 He3H_ERR=0 He3H_N=0 "He3H.dat" Detector: H53_ThALES_TransmitXY_I=7.7723e+11 H53_ThALES_TransmitXY_ERR=3.86992e+09 H53_ThALES_TransmitXY_N=111443 "H53_ThALES_TransmitXY_1747205521.x_L" Detector: H52_Obt_Out_I=4.47132e+12 H52_Obt_Out_ERR=9.40965e+09 H52_Obt_Out_N=798348 "H52_Obt_Out_1747205521.x_y" Detector: H52_Common_Out_I=4.91634e+12 H52_Common_Out_ERR=9.74044e+09 H52_Common_Out_N=902455 "H52_Common_Out.dat" Detector: H523_origin_I=1.10007e+12 H523_origin_ERR=4.45101e+09 H523_origin_N=214284 "H523_origin_1747205521.hd_vd" Detector: H521_origin_I=1.36454e+12 H521_origin_ERR=5.27426e+09 H521_origin_N=235382 "H521_origin_1747205521.hd_vd" Detector: H522_origin_I=2.45146e+12 H522_origin_ERR=6.87364e+09 H522_origin_N=448907 "H522_origin_1747205521.hd_vd" Detector: H521_VTE_I=1.15883e+12 H521_VTE_ERR=4.56913e+09 H521_VTE_N=219036 "H521_VTE_1747205521.x_y" Detector: H521_Curved_Out_I=1.01845e+12 H521_Curved_Out_ERR=4.25033e+09 H521_Curved_Out_N=192426 "H521_Curved_Out_1747205521.x_y" Detector: H521_Straight_Out_I=1.0012e+12 H521_Straight_Out_ERR=4.19508e+09 H521_Straight_Out_N=191670 "H521_Straight_Out_1747205521.x_y" Detector: H521_D16_Monochromator_Cradle_I=7.83779e+11 H521_D16_Monochromator_Cradle_ERR=3.80373e+09 H521_D16_Monochromator_Cradle_N=142982 "H521_D16_Monochromator_Cradle_1747205521.x_y" Detector: H521_D16_Sample_Div_I=1.61383e+09 H521_D16_Sample_Div_ERR=1.83756e+08 H521_D16_Sample_Div_N=212 "H521_D16_Sample_Div_1747205521.hd_vd" Detector: H521_D16_Sample_XY_I=4.21396e+09 H521_D16_Sample_XY_ERR=2.85238e+08 H521_D16_Sample_XY_N=594 "H521_D16_Sample_XY_1747205521.x_y" Detector: H521_D16_Sample_L_I=4.21099e+09 H521_D16_Sample_L_ERR=2.85224e+08 H521_D16_Sample_L_N=589 "H521_D16_Sample_L_1747205521.L" Detector: H521_D16_Detector_I=3.28021e+06 H521_D16_Detector_ERR=2.31946e+06 H521_D16_Detector_N=2 "H521_D16_Detector_1747205521.x_y" Detector: H521_D16_Spectrometer_I=8.39519e+07 H521_D16_Spectrometer_ERR=2.25296e+07 H521_D16_Spectrometer_N=33 "H521_D16_Spectrometer_1747205521.A_E" Detector: H521_D16_Diffractometer_I=3.18471e+07 H521_D16_Diffractometer_ERR=1.40309e+07 H521_D16_Diffractometer_N=14 "H521_D16_Diffractometer_1747205521.th_y" Detector: H521_SADAM_Monochromator_Cradle_I=8.72491e+11 H521_SADAM_Monochromator_Cradle_ERR=4.18339e+09 H521_SADAM_Monochromator_Cradle_N=145687 "H521_SADAM_Monochromator_Cradle_1747205521.x_y" Detector: H521_SADAM_Sample_Div_I=1.66663e+09 H521_SADAM_Sample_Div_ERR=2.02815e+08 H521_SADAM_Sample_Div_N=141 "H521_SADAM_Sample_Div_1747205521.hd_vd" Detector: H521_SADAM_Sample_XY_I=4.56315e+09 H521_SADAM_Sample_XY_ERR=3.15297e+08 H521_SADAM_Sample_XY_N=417 "H521_SADAM_Sample_XY_1747205521.x_y" Detector: H521_SADAM_Sample_L_I=4.56315e+09 H521_SADAM_Sample_L_ERR=3.15297e+08 H521_SADAM_Sample_L_N=413 "H521_SADAM_Sample_L_1747205521.L" Detector: H521_SADAM_Detector_I=0 H521_SADAM_Detector_ERR=0 H521_SADAM_Detector_N=0 "H521_SADAM_Detector_1747205523.x_y" Detector: H521_SADAM_Spectrometer_I=1.71193e+07 H521_SADAM_Spectrometer_ERR=1.12238e+07 H521_SADAM_Spectrometer_N=4 "H521_SADAM_Spectrometer_1747205523.A_E" Detector: H521_SADAM_Diffractometer_I=9.39793e+06 H521_SADAM_Diffractometer_ERR=8.06513e+06 H521_SADAM_Diffractometer_N=3 "H521_SADAM_Diffractometer_1747205523.th_y" Detector: H522_VTE_I=2.19869e+12 H522_VTE_ERR=6.38667e+09 H522_VTE_N=420129 "H522_VTE_1747205523.x_y" Detector: H522_Curved_Out_XY_I=1.89701e+12 H522_Curved_Out_XY_ERR=5.80569e+09 H522_Curved_Out_XY_N=373206 "H522_Curved_Out_XY_1747205523.x_y" Detector: H522_Curved_Out_XL_I=1.89606e+12 H522_Curved_Out_XL_ERR=5.80395e+09 H522_Curved_Out_XL_N=372656 "H522_Curved_Out_XL_1747205523.x_L" Detector: H522_Vsel_L_I=7.09012e+10 H522_Vsel_L_ERR=4.85213e+08 H522_Vsel_L_N=59034 "H522_Vsel_L_1747205523.L" Detector: H522_mirror_ReflectXY_I=1.95157e+10 H522_mirror_ReflectXY_ERR=1.91646e+08 H522_mirror_ReflectXY_N=19748 "H522_mirror_ReflectXY.dat" Detector: H522_mirror_TransmitXY_I=1.73224e+10 H522_mirror_TransmitXY_ERR=7.34658e+08 H522_mirror_TransmitXY_N=1064 "H522_mirror_TransmitXY.dat" Detector: H522_mirror_outdXY_I=1.95157e+10 H522_mirror_outdXY_ERR=1.91646e+08 H522_mirror_outdXY_N=19748 "H522_mirror_outdXY_1747205523.hd_vd" Detector: H522_WASP_Sample_Div_I=1.29414e+09 H522_WASP_Sample_Div_ERR=4.93036e+07 H522_WASP_Sample_Div_N=1287 "H522_WASP_Sample_Div_1747205523.hd_vd" Detector: H522_WASP_Sample_XY_I=1.29414e+09 H522_WASP_Sample_XY_ERR=4.93036e+07 H522_WASP_Sample_XY_N=1287 "H522_WASP_Sample_XY_1747205523.x_y" Detector: H522_WASP_Sample_L_I=1.29414e+09 H522_WASP_Sample_L_ERR=4.93036e+07 H522_WASP_Sample_L_N=1287 "H522_WASP_Sample_L_1747205523.L" Detector: H522_WASP_Detector_I=6588.97 H522_WASP_Detector_ERR=4934.37 H522_WASP_Detector_N=7 "H522_WASP_Detector_1747205523.x_y" Detector: H522_WASP_Spectrometer_I=1.24577e+06 H522_WASP_Spectrometer_ERR=201860 H522_WASP_Spectrometer_N=381 "H522_WASP_Spectrometer_1747205523.A_E" Detector: H522_WASP_Diffractometer_I=1.15785e+06 H522_WASP_Diffractometer_ERR=194856 H522_WASP_Diffractometer_N=340 "H522_WASP_Diffractometer_1747205523.th_y" Detector: H523_VTE_I=5.31181e+11 H523_VTE_ERR=2.47971e+09 H523_VTE_N=194382 "H523_VTE_1747205523.x_y" Detector: H523_CryoEDM_In_L_I=2.90942e+11 H523_CryoEDM_In_L_ERR=1.5437e+09 H523_CryoEDM_In_L_N=158858 "H523_CryoEDM_In_L_1747205523.L" Detector: H523_CryoEDM_mirror_ReflectXY_I=1.23622e+10 H523_CryoEDM_mirror_ReflectXY_ERR=1.37953e+08 H523_CryoEDM_mirror_ReflectXY_N=27493 "H523_CryoEDM_mirror_ReflectXY.dat" Detector: H523_CryoEDM_mirror_TransmitXY_I=5.4664e+10 H523_CryoEDM_mirror_TransmitXY_ERR=3.06214e+09 H523_CryoEDM_mirror_TransmitXY_N=1427 "H523_CryoEDM_mirror_TransmitXY.dat" Detector: H523_CryoEDM_Sample_L_I=1.93928e+10 H523_CryoEDM_Sample_L_ERR=1.68845e+08 H523_CryoEDM_Sample_L_N=47518 "H523_CryoEDM_Sample_L_1747205523.L" Detector: H523_CryoEDM_Sample_Div_I=1.92447e+10 H523_CryoEDM_Sample_Div_ERR=1.68433e+08 H523_CryoEDM_Sample_Div_N=46022 "H523_CryoEDM_Sample_Div_1747205523.hd_vd" Detector: H523_CryoEDM_Sample_XY_I=1.93928e+10 H523_CryoEDM_Sample_XY_ERR=1.68845e+08 H523_CryoEDM_Sample_XY_N=47523 "H523_CryoEDM_Sample_XY_1747205523.x_y" Detector: H51_Obt_Out_I=1.02198e+12 H51_Obt_Out_ERR=4.71066e+09 H51_Obt_Out_N=470632 "H51_Obt_Out_1747205523.x_y" Detector: H51_S2_Out_I=7.10049e+11 H51_S2_Out_ERR=3.91106e+09 H51_S2_Out_N=391750 "H51_S2_Out_1747205523.x_y" Detector: H51_split_2_I=3.27727e+11 H51_split_2_ERR=2.65504e+09 H51_split_2_N=180167 "H51_split_2_1747205523.x_y" Detector: H51_split_1_I=3.25364e+11 H51_split_1_ERR=2.65096e+09 H51_split_1_N=179571 "H51_split_1_1747205523.x_y" Detector: H511_mirror_ReflectXY_I=3.21919e+10 H511_mirror_ReflectXY_ERR=2.86855e+08 H511_mirror_ReflectXY_N=59519 "H511_mirror_ReflectXY.dat" Detector: H511_mirror_TransmitXY_I=1.96311e+11 H511_mirror_TransmitXY_ERR=9.91755e+09 H511_mirror_TransmitXY_N=3089 "H511_mirror_TransmitXY.dat" Detector: H511_mirror_outdXY_I=3.21919e+10 H511_mirror_outdXY_ERR=2.86855e+08 H511_mirror_outdXY_N=59519 "H511_mirror_outdXY_1747205523.hd_vd" Detector: H511_VTE_I=2.51594e+10 H511_VTE_ERR=2.6169e+08 H511_VTE_N=60413 "H511_VTE_1747205523.x_y" Detector: H511_IN15_Sample_Div_I=1.46071e+09 H511_IN15_Sample_Div_ERR=3.14502e+07 H511_IN15_Sample_Div_N=5041 "H511_IN15_Sample_Div_1747205523.hd_vd" Detector: H511_IN15_Sample_XY_I=1.46071e+09 H511_IN15_Sample_XY_ERR=3.14502e+07 H511_IN15_Sample_XY_N=5041 "H511_IN15_Sample_XY_1747205523.x_y" Detector: H511_IN15_Sample_L_I=1.46071e+09 H511_IN15_Sample_L_ERR=3.14502e+07 H511_IN15_Sample_L_N=5041 "H511_IN15_Sample_L_1747205523.L" Detector: H511_IN15_Detector_I=10275.6 H511_IN15_Detector_ERR=7760.91 H511_IN15_Detector_N=8 "H511_IN15_Detector_1747205523.x_y" Detector: H511_IN15_Spectrometer_I=6.03634e+06 H511_IN15_Spectrometer_ERR=231806 H511_IN15_Spectrometer_N=2572 "H511_IN15_Spectrometer_1747205523.A_E" Detector: H511_IN15_Diffractometer_I=3.54611e+06 H511_IN15_Diffractometer_ERR=179494 H511_IN15_Diffractometer_N=1475 "H511_IN15_Diffractometer_1747205523.th_y" Detector: H512_VTE_I=1.71749e+11 H512_VTE_ERR=1.59336e+09 H512_VTE_N=167112 "H512_VTE_1747205523.x_y" Detector: D22_PreV_I=1.41123e+11 D22_PreV_ERR=1.55298e+09 D22_PreV_N=117483 "D22_PreV_1747205523.x_y" Detector: H51_D22_Sample_Div_I=4.14537e+09 H51_D22_Sample_Div_ERR=1.96656e+08 H51_D22_Sample_Div_N=1375 "H51_D22_Sample_Div_1747205523.hd_vd" Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Detector: H51_D22_Sample_XY_I=4.14537e+09 H51_D22_Sample_XY_ERR=1.96656e+08 H51_D22_Sample_XY_N=1375 "H51_D22_Sample_XY_1747205523.x_y" Detector: H51_D22_Sample_L_I=4.14537e+09 H51_D22_Sample_L_ERR=1.96656e+08 H51_D22_Sample_L_N=1375 "H51_D22_Sample_L_1747205523.L" Detector: D22_Detector_I=2.74809e+07 D22_Detector_ERR=6.794e+06 D22_Detector_N=61 "D22_Detector_1747205523.x_y" Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Finally [ILL_H5_new: 1]. Time: 7 [s] Isotropic_Sqw: H53_ThALES_Sample: 35 neutron events (out of 43) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H53_ThALES_Sample: Scattering fraction=0.061816 of incoming intensity Absorption fraction =0.103089 Single scattering intensity =2.54459e+07 (coh=1.39298e+07 inc=1.15161e+07) Multiple scattering intensity =0 Isotropic_Sqw: H521_D16_Sample: Scattering fraction=0.944604 of incoming intensity Absorption fraction =0.00867694 Single scattering intensity =9.71124e+07 (coh=1.68044e+06 inc=9.5432e+07) Multiple scattering intensity =0 Isotropic_Sqw: H521_SADAM_Sample: Scattering fraction=0.12718 of incoming intensity Absorption fraction =0.0475376 Single scattering intensity =2.17501e+07 (coh=2.17501e+07 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: H51_D22_Sample: Scattering fraction=0.970931 of incoming intensity Absorption fraction =0.00976848 Single scattering intensity =3.37541e+08 (coh=8.46013e+06 inc=3.29081e+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