Hi Peter and all Wien users,
Thanks for your help and sorry for late response. Will you help once
more please? I want to calculate spin-polarised hematite. Its normal scf is
o.k. But problem is in volume optimization. I have edited optimization. job
script- by changing run_lapw to runsp_lapw & uncommented x dstart. d start
completed nicely. But then I have got error in lapw0 unknown with forrt1:
severe (174):SIGSEGV, segmentation fault even at 0% volume optimization. I
can?t detect what problem basically is it? Please suggest the remedy. I am
using ifort 10.0.023 & mkl 9.1.023 and I have performed ulimit stack size
unlimited.
Thanks in advance.
Regards.
Swati
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