[Wien] Reg: error in Lapw2

[Laurence Marks]

This means that something has gone wrong, which of course you already
know! To start:

What version are you using?
Is this PORT or MSR1a?
Is this the 10th cycle of the scf, or the 10th force cycle (in PORT)?
Do you have sensible positions? Do "x nn" and see if it gives errors,
and look at your positions using some program (Xcrygen, ATOMS etc).

On Sat, Apr 14, 2012 at 7:41 AM, Swetarekha Ram <swetarekharam at gmail.com> wrote:
> Dear Prof.  Peter Blaha and Wien2k Users,
>
>      I am running the WIEN2k for the position optimization. When I am
> using the command run_lapw -fc 1, after some iteration (nearly after
> 10 cycle) I am getting error like
>
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line
> Source
> lapw2              00000000004548BE  l2main_                   893
> l2main_tmp_.F
> lapw2              0000000000469B7C  MAIN__                    564  lapw2_tmp_.F
> lapw2              0000000000403CBC  Unknown               Unknown  Unknown
> libc.so.6          000000342561D994  Unknown               Unknown  Unknown
> lapw2              0000000000403BC9  Unknown               Unknown  Unknown
>>   stop error
>
> Can any one give suggestion to correct this error.
>
> --
> Swetarekha Ram,
> Research Scholar,
> Dept. of Physics,
> IIT Hyderabad.
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi