[Pw_forum] Error in calculations
padmaja_patnaik at yahoo.co.uk
Tue Aug 2 14:31:16 CEST 2011
After generating fully relativistic ultra-soft pseudopotential when i do the scf calculations it stops giving the following massage.
running the scf calculation for Cr..../testrun: line 77: 16136 Segmentation fault $PW_COMMAND < cr.scf.in > cr.scf.out
Error condition encountered during test: exit status = 139
Can anybody please advise on this.
Thanks in advance,
Dept of Physics
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