[Wien] optimization command shell

Javad hashemifar jhashemifar at gmail.com
Thu Jul 6 08:12:38 CEST 2006


Hello
You can do volume optimization by shell commands as follows:

x optimize  (answer correctly to the asked questions and
                  select the proper volume changes)

edit file optimize.job and do the required modifications (for example
for spin polarized cases you should change eun_lapw command to
runsp_lapw)

then execute shell script file optimize.job ( ./optimize.job)

Regards,
Javad Hashemifar

On 6/29/06, احسان عريقات <ihsanas at yahoo.com> wrote:
> Hi
> I am anew user for wien2k Itry to make   volume
> optimization by using the shell commands but I can`t
> find the command in the userguid please help me .
>
>
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Javad Hashemifar, Ph.D. student
Tel:  +98-311-3912375
Fax: +98-311-3912376
Physics Department, Isfahan University of Technology, 84156, Isfahan, Iran
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