[Wien] Re: lapw2-error with wien2k_03

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Fri Jun 20 09:44:22 CEST 2003


> I am using on Pentium.

Then it is different from my problem.

>All calculations fail in Lapw2.The *.dayfile file as followed :
>
>     start  (四  6月 12 10:43:26 CST 2003) with lapw0 (20/20 to go)
> >   lapw0  (10:43:26) 9.900u 0.056s 0:10.67 93.2% 0+0k 0+0io 260pf+0w
> >   lapw1    (10:43:37) 253.714u 1.673s 4:18.09 98.9% 0+0k 0+0io 312pf+0w
> >   lapw2  (10:47:55) 9.240u 0.199s 0:09.57 98.5% 0+0k 0+0io 270pf+0w
>
> >   stop error

This output shows that lapw2 has finished correctly. The error must come
immediately after lapw2, that is either lcore or lapwso (if you are using
spin-orbit). Assuming the first case, what is the screen output if you do

x lcore

Stefaan




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