[Wien] lapw2 error

[Peter Blaha]

My guess: Your struct files are (complete ??) nonsense.

Have you checked distance in case.outputnn. Are they the same as for a
bulk structure ?

qianlijie84 schrieb:
> Dear Prof. Blaha:
> 
>    I do something about the magntic films using WIEN2k_08. They are 
> Co,Cu Co and Nio layers. The RMT setted automatically are 
> 2.45,2.46.2.45.2.50.2.50 respectively.It is strange that both the RMT of 
> Ni AND O are 2.50. Otherwise the same error always occour during the 
> first SCF cycle.
>   1)The following is the error information during running:
>  /  STOP  LAPW1 END
>  STOP
>  STOP FERMIG
>  STOP
> .in.tmp - No such file or directory
> Cannot access .in.tmp: No such file or directory
> Cannot access .in.tmp1: No such file or directory
>  >   stop error
> / 2)The following is the error information in case.dayfile:
>   />   lapw2 -c  -p        (11:40:52) running LAPW2 in parallel mode
> Abort (core dumped)
> **  LAPW2 crashed!
> 0.7u 0.3s 0:04 26% 0+0k 74+7io 6pf+0w
> error: command   /disk1/issp/ljqian/WIEN2k_08/lapw2cpara -c lapw2.def   
> failed
> 
>  >   stop error
> /3) the following is the content of the error file
> /Error in LAPW2
> **  testerror: Error in Parallel LAPW2
>  /I don't know what's the problem and how to deal with Any suggestions 
> will be appreciated.
> 
> / Best wishes!
> //  yours sincerely
> ljqian/
> 
> 
> 
> ------------------------------------------------------------------------
> ´©Ô½µØÕð´ø ¼ÍÄîãë´¨µØÕðÒ»ÖÜÄê 
> <http://512.mail.163.com/mailstamp/stamp/dz/activity.do?from=footer>
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------