[Wien] Why ONLY bandstructure can give the image?

[Rocquefelte]

Dear Donghui,

I have no real experience about your problem, but after checking the
source files of Wien2k I found the following information:

- Look in the directory : SRC_w2web/htdocs/exec
- then do "grep gnuplot *.pl"
You will find the program using gnuplot:

dos.pl: $umps = qx(cd $DIR;gnuplot $tmp2 2>&1);
elnes.pl: $umps = qx(cd $DIR;gnuplot $tmp2 2>&1);
fphonons.pl: $umps = qx(cd $DIR;gnuplot ":eplot" 2>&1);
optic.pl: $umps = qx(cd $DIR;gnuplot $tmp2 2>&1);
optimize.pl: $umps = qx(cd $DIR;gnuplot ":eplot" 2>&1);
rho.pl:# $umps = qx(cd $DIR;gnuplot $tmp2 2>&1);
rho_save.pl: $umps = qx(cd $DIR;gnuplot $tmp2 2>&1);
xspec.pl: $umps = qx(cd $DIR;gnuplot $tmp1 2>&1);

You can see than spaghetti do not use gnuplot (look at band.pl to see
the details of spaghetti plot).
This certainly explain why you are only able to plot the band structure
and not the other features (DOS, OPTIC, XSPEC ...).

Hope that the email will help you. Sorry for my previous misunderstanding.

Regards

Xavier



Donghui Guo a ¨¦crit:
> Dear Rocquefelte,
>
> Thank you for your reply.
>
> Maybe I didn't explain my situation clearly.
>
> I can get bandstructure image with w2web function, but not the other calculation results in Tasks list. On the other hand, I can get image by inputting command in Gnome Terminal (SUSE), such as inputting "specplot" for XSpec. 
>
> So, my problem seems to be that the w2web cannot load gnuplot successfully. 
>
> Do you have any idea about this? Thank you for your help.
>
> Best regards, 
>
> Yours	
> Donghui Guo
> 2008-09-19
>
>
>   
> ======= At 2008-09-19, 15:28:14 you wrote: =======
>
>   
>> Dear Donghui,
>>
>> The file you need is case.spaghetti_ps (as mentioned in the user guide 
>> p38 and p110).
>>
>> Regards
>>
>> Xavier
>>
>>
>>
>> Donghui Guo a écrit :
>>     
>>> Dear all,
>>>
>>> I am running TiC example. After I ran SCF, no error message was shown in "Show STDOUT" and every programs such as LAPW0/LAPW1/LAPW2/SUMPARA/MIXER showed "END". 
>>> Then I ran tasks. Only bandstructure could give the image. The other tasks just shown an icon. 
>>> I checked the program for bandstructure- "spaghetti", but I cannot open it with gedit, so I don't know how this program load the gnuplot. 
>>>
>>> How can I get the calculated image successfully? Thank you for your help.
>>>
>>> Best regards, 
>>> Yours, 
>>> Donghui Guo
>>> 2008-09-19
>>>
>>>
>>> ************************************************
>>> Donghui Guo 
>>> Catalysis Research Center (CRC)
>>> Hokkaido University
>>> 21-10 Kita, Sapporo 001-0021
>>> Japan
>>> dhguo at cat.hokudai.ac.jp
>>> TEL: +81-11-706 9114 (office)
>>> ******************************************************
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>
>>>   
>>>       
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>>     
>
> = = = = = = = = = = = = = = = = = = = =
>
> ************************************************
> Donghui Guo 
> Catalysis Research Center (CRC)
> Hokkaido University
> 21-10 Kita, Sapporo 001-0021
> Japan
> dhguo at cat.hokudai.ac.jp
> TEL: +81-11-706 9114 (office)
> ******************************************************
>   
> ------------------------------------------------------------------------
>
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