[Pw_forum] regarding xcrysden and QE INPUT FILE

[Elliot Menkah]

Hello kulwinder,
Can you post the content of your input file please?

Thank you.



Regards,

Elliot.

On 03/01/2014 07:26 AM, kulwinder kaur wrote:
> hello xcrysden and QE user
>
> my input file of QE is not open with xcrysden. when i open my input 
> file with xcrysden the following error occur
>
> wrong # args: should be "pwInputPreset file"
> wrong # args: should be "pwInputPreset file"
>     while executing
> "pwInputPreset /home/satnam/Desktop/calculation /new mg2si/new 
> mg/mg.scf.in <http://mg.scf.in>"
>     ("eval" body line 1)
>     invoked from within
> "eval $preset $file"
>     (procedure "openExtStruct" line 106)
>     invoked from within
> "openExtStruct 3 crystal external {sh 
> /usr/share/xcrysden/scripts/pwi2xsf.sh} pwi2xsf.xsf_out {PWSCF Input 
> File} ANGS -preset pwInputPreset"
>     invoked from within
> ".menu.vmfile.menu.pwscf invoke active"
>     ("uplevel" body line 1)
>     invoked from within
> "uplevel #0 [list $w invoke active]"
>     (procedure "tk::MenuInvoke" line 50)
>     invoked from within
> "tk::MenuInvoke .menu.vmfile.menu.pwscf 1"
>     (command bound to event)
>
> plz tell me where is problem ? input file or xcrysden
>
>
> -- 
> Regards
> kulwinder kaur
> physics department
> panjab university chandigarh (india)
>
>
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-- 
Elliot S. Menkah
Research Student - Computational Chemistry/ Computational Material Science
Theoretical and Computational Chemistry
Dept. of Chemistry
Kwame Nkrumah UNiversity of Sci. and Tech.
Kumasi
Ghana

Tel: +233 243-055-717

Alt Email: elliotsmenkah at gmail.com
            elliotsmenkah at hotmail.com

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