[Wien] Error in SCF Calculation
hüsnü kara
husnukara34 at gmail.com
Tue Aug 19 11:39:16 CEST 2014
Dear Wien Users,
I got StructGen and Initialization for SrTiO3 in spin-polarized case.
After that I got SCF scycle, it worked. Then I ran initso_lapw command
in a terminal.
Then I ran another SCF Scycle which contains initso_lapw. And I got this error:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line
Source
libifcore.so.5 00002AAAAC9BD1F8 Unknown Unknown Unknown
libifcore.so.5 00002AAAAC9E58F8 Unknown Unknown Unknown
libifcore.so.5 00002AAAACA12CFC Unknown Unknown Unknown
libifcore.so.5 00002AAAACA108AA Unknown Unknown Unknown
lapw0 0000000000444DA5 MAIN__ 885 lapw0.F
lapw0 0000000000401D7C Unknown Unknown Unknown
libc.so.6 0000003B17821A05 Unknown Unknown Unknown
lapw0 0000000000401C79 Unknown Unknown Unknown
> stop error
Could you tell me about where did I do a mistake?
Best regards,
--
Hüsnü Kara
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140819/c9fe5012/attachment.html>
More information about the Wien
mailing list