[Wien] problem with dstart

Serena Corallini serena.corallini at univ-rennes1.fr
Tue Mar 5 10:36:44 CET 2013


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





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