Dear Developers, I have always been able to successfully do the initialization step. However, I get the following error message while doing initialization and it stops working. *How should I proceed?*
* next is symmetry> symmetry (20:44:26) forrtl: severe (24): end-of-file during read, unit 20, file /scrfs/storage/esandhar/home/Wein2k/new/Si/Si.structImage PC Routine Line Sourcelibifcoremt.so.5 00007F0ED388C572 for__io_return Unknown Unknownlibifcoremt.so.5 00007F0ED38CC27D for_read_seq_fmt Unknown Unknownsymmetry 000000000042FA84 latsym_.A 67 latsym.fsymmetry 000000000040ADDE MAIN__.A 51 symmetry.fsymmetry 000000000040119E Unknown Unknown Unknownlibc-2.12.so <http://libc-2.12.so> 00007F0ED1BB1D20 __libc_start_main Unknown Unknownsymmetry 00000000004010A9 Unknown Unknown Unknown0.006u 0.010s 0:00.02 50.0% 0+0k 0+8io 0pf+0werror: command /scrfs/apps/WIEN2k/19.2el6/19.2/symmetry symmetry.def failed \n stop error \n* Also, here is my Si.struct file: Si F LATTICE,NONEQUIV.ATOMS: 1 MODE OF CALC=RELA unit=ang 10.26000 10.26000 10.26000 90.00000 90.00000 90.00000 ATOM 1: X=0.12500000 Y=0.12500000 Z=0.12500000 MULT= 2 ISPLIT= 2 1: X=0.87500000 Y=0.87500000 Z=0.87500000 Si1 NPT= 781 R0=0.00010000 RMT= 2.1000 Z: 14.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 48 NUMBER OF SYMMETRY OPERATIONS 1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 1 -1 0 0 0.75000000 0-1 0 0.25000000 0 0 1 0.50000000 2 -1 0 0 0.25000000 0 1 0 0.50000000 0 0-1 0.75000000 3 1 0 0 0.50000000 0-1 0 0.75000000 0 0-1 0.25000000 4 0 0 1 0.00000000 1 0 0 0.00000000 0 1 0 0.00000000 5 0 0 1 0.50000000 -1 0 0 0.75000000 0-1 0 0.25000000 6 0 0-1 0.75000000 -1 0 0 0.25000000 0 1 0 0.50000000 7 0 0-1 0.25000000 1 0 0 0.50000000 0-1 0 0.75000000 Awaiting your reply. Regards, Eesha
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