Dear all, we are interesting in some calculation for different kind of structure: the one that give the dstart problem is for the P4mm space group with cell built from 2 Perovskite units (2xABO3) removing the oxygen on the common face to simulate a vacancy. Initialization is ok up to Commandline: x dstart -c -p -c Program input is: ""
forrtl: severe (24): end-of-file during read, unit 81, file /home/serena/WIEN2k12/SSGO5:5/SSGO5:5.rsp Image PC Routine Line Source dstart 00000000004C294D Unknown Unknown Unknown dstart 00000000004C1455 Unknown Unknown Unknown dstart 0000000000468419 Unknown Unknown Unknown dstart 0000000000430CEA Unknown Unknown Unknown dstart 00000000004304E8 Unknown Unknown Unknown dstart 000000000044521D Unknown Unknown Unknown dstart 000000000040F60D init_ 103 init.f dstart 000000000040E48D MAIN__ 9 dstart.f dstart 00000000004035CC Unknown Unknown Unknown libc.so.6 0000003E83C1D994 Unknown Unknown Unknown dstart 00000000004034D9 Unknown Unknown Unknown 0.001u 0.001s 0:00.21 0.0% 0+0k 0+0io 14pf+0w error: command /usr/local/wien2k12/dstart dstart.def failed Do you have any idea how we can resolve it? Thank you very much Best regards Serena