INFO: Using directory: "1" INFO: Using existing c-file: ./Test_Powders.c INFO: Using existing binary: ./Test_Powders.out INFO: === [Test_PowderN] Initialize ./Test_Powders.c: INFO: Converting Ge.cif into F2(HKL) list /tmp/fileItPYjB cif2hkl -o /tmp/fileItPYjB --mode NUC Ge.cif Opening input file '/tmp/fileItPYjB' (Table_Read_Offset) Table from file '/tmp/fileItPYjB' (block 1) is 328 x 6 (x=1:22), constant step. interpolation: linear '# TITLE Ge8 [Cubic, Centric (-1 not at origin) Gen(-1):-x+1/4,-y+1/4,-z+ ...' PowderN: Pow_PowderN: Reading 328 rows from Ge.cif PowderN: Pow_PowderN: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. PowderN: Pow_PowderN: Read 328 reflections from file 'Ge.cif' PowderN: Pow_PowderN: Vc=181.085 [Angs] sigma_abs=17.6 [barn] sigma_inc=1.44001 [barn] reflections=Ge.cif ./Test_Powders.c: INFO: Converting Ge.cif into F2(HKL) list /tmp/filetW5YNY cif2hkl -o /tmp/filetW5YNY --xtal --mode NUC Ge.cif Opening input file '/tmp/filetW5YNY' (Table_Read_Offset) Mode: lengths and angles Single_crystal: Ge.cif structure a=5.65754 b=5.65754 c=5.65754 aa=90 bb=90 cc=90 V0=181.085 Single_crystal: Pow_Single_crystal: Read 11462 reflections from file 'Ge.cif' Single_crystal: Pow_Single_crystal: Vc=181.085 [Angs] sigma_abs=17.6 [barn] sigma_inc=1.44001 [barn] reflections=Ge.cif Direct space lattice orientation: a = [0 5.65754 3.46424e-16] b = [0 0 5.65754] c = [5.65754 3.46424e-16 3.46424e-16] Reciprocal space lattice orientation: a* = [-6.80038e-17 1.11059 0] b* = [-6.80038e-17 -6.80038e-17 1.11059] c* = [1.11059 0 0] NCrystal: McStas sample component(s) are using version 4.0.0 of the NCrystal library. NOTE: CPU COMPONENT grammar activated: 1) "FUNNEL" raytrace algorithm enabled. 2) Any SPLIT's are dynamically allocated based on available buffer size. Save [Test_PowderN] Detector: Sph_mon_I=3.90837e+08 Sph_mon_ERR=164179 Sph_mon_N=8.98634e+06 "Sphere.dat" Detector: psd_mon_I=838016 psd_mon_ERR=8467.14 psd_mon_N=11118 "PSD.dat" Finally [Test_PowderN: 1]. Time: 3 [s] INFO: Placing instr file copy Test_Powders.instr in dataset 1 INFO: Placing generated c-code copy Test_Powders.c in dataset 1