INFO: Using directory: "1" INFO: Using existing c-file: ./Samples_Isotropic_Sqw.c INFO: Using existing binary: ./Samples_Isotropic_Sqw.out INFO: === [Samples_Isotropic_Sqw] Initialize Isotropic_Sqw: Sample: is a cylinder: radius=0.010000 thickness=0.000000 height=0.055000 [J Comp Phys 228 (2009) 5251] Opening input file '/gpfs/hpc/apps/CentOS8_2/mcstas/3.5.29/share/mcstas/resources/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/gpfs/hpc/apps/CentOS8_2/mcstas/3.5.29/share/mcstas/resources/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/gpfs/hpc/apps/CentOS8_2/mcstas/3.5.29/share/mcstas/resources/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/gpfs/hpc/apps/CentOS8_2/mcstas/3.5.29/share/mcstas/resources/data/Rb_liq_inc.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample: Temperature set to T=350 [K] Isotropic_Sqw: Sample: S(q,w) data from Rb_liq_inc.sqw (inc) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_inc.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample: Generated Rb_liq_inc.sqw incoherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.985192 size=[101x10185] sigma=0.5 [barns] normalization factor S(q,w)*0.492586 (auto) \int q^2 S(q) dq=676.701 Opening input file '/gpfs/hpc/apps/CentOS8_2/mcstas/3.5.29/share/mcstas/resources/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/gpfs/hpc/apps/CentOS8_2/mcstas/3.5.29/share/mcstas/resources/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/gpfs/hpc/apps/CentOS8_2/mcstas/3.5.29/share/mcstas/resources/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/gpfs/hpc/apps/CentOS8_2/mcstas/3.5.29/share/mcstas/resources/data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample: Temperature set to T=350 [K] Isotropic_Sqw: Sample: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: 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 *** TRACE end *** Save [Samples_Isotropic_Sqw] Detector: PSD_I=7.30958e-06 PSD_ERR=3.72552e-09 PSD_N=3.84955e+06 "PSD_1747236041.x_y" Detector: Out_I=2.19356e-06 Out_ERR=8.03235e-10 Out_N=7.99715e+06 "out.dat" Detector: M_theta_t_I=1.62881e-07 M_theta_t_ERR=2.20984e-10 M_theta_t_N=585235 "M_theta_t_1747236047.t_A" Detector: M_aw_I=3.22721e-07 M_aw_ERR=3.11052e-10 M_aw_N=1.15919e+06 "M_aw_1747236047.A_E" Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Isotropic_Sqw: Sample: 72935 neutron events (out of 80029) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 1533 neutron events (out of 7094) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.11374 of incoming intensity Absorption fraction =0.103875 Single scattering intensity =2.42792e-09 (coh=1.19831e-09 inc=1.22961e-09) Multiple scattering intensity =7.2807e-10 INFO: Placing instr file copy Samples_Isotropic_Sqw.instr in dataset 1 INFO: Placing generated c-code copy Samples_Isotropic_Sqw.c in dataset 1