[Wien] Structure optimized error

[L. D. Marks]

This is not a problem with the minimization, it is a problem with the
lapw calculation itself. Please have a look at case.output1 (for lapw1),
lapw1.error, and the output of the job. Normally there will be enough
information to tell you what went wrong.

On Thu, 15 Jul 2004, WANG Yuan Xu wrote:

> Dear all£¬
>
> when i optimized a surface structure by PORT method, after two structure change step, lapw1 error happen and show "Lapw1 crashed". The case.in2, I set FOR.
> The attached file is outputM files.
> How to deal with it?
> Thank you!
>
> Best
>
>
> WANG Yuan Xu
> wang.yuanxu at nims.go.jp
> 2004-07-14
>
>
>
>

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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:L-marks at northwestern.edu
http://www.numis.northwestern.edu
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