[Pw_forum] how to get the *.xyz OR *XSF file which can be used in XCrySDen

[xu yuehua]

hi :
thank for lan haiping ,
and there is another problem present when i put *.o8888 (a out file produced
by machine)to xcrysden ,the software ask me which to see,i choose the
initial structure ,and it is OK ,but when i choose to havea look at the
optimized and latest structure ,it gives error message :an error occurred
while trying to update a structure;error reading
/home/xyh/xcry_tmp/xc_8016/xc_structure8016
so i do not know the reason and how to resolve it .if you could give me a
piece of advice .i will be thankful.
bests


2007/11/27, lan haiping <lanhaiping at gmail.com>:
>
> Dear Yuehua,
>
>  xcrysden can read  input/output of pwscf . you can achieve just by
> 'xcrysden --pwi (or -pwo) pwscf.in(pwscf.out)' .
> good luck
>
> Regards.
>
>
>  On Nov 27, 2007 2:39 PM, xu yuehua < njuxuyuehua at gmail.com> wrote:
>
> >
> > hi all:
> > i relaxed a structure ,and want to see the details,and the XCrySDen can
> > read the *xyz AND *XSF .SO HOW TO get the above file .my out file does not
> > including the above .
> > thanks for your help.
> > bests
> > --
> > Xu Yuehua
> > physics Department of Nanjing university
> > China
> >
> > _______________________________________________
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> > Pw_forum at pwscf.org
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> >
> >
>
>
> --
> Hai-Ping Lan
> Department of Electronics ,
> Peking University , Bejing, 100871
> lanhaiping at gmail.com, hplan at pku.edu.cn
> _______________________________________________
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>
>


-- 
Xu Yuehua
physics Department of Nanjing university
China
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