[Wien] Fwd: problem with display of SCF results with Wi2ek version 8

Gavin Abo gsabo at crimson.ua.edu
Tue Aug 28 09:36:59 CEST 2012


Did you read the post:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-August/013498.html

and try changing "set data style" to "set style data" in the scripts?

On 8/28/2012 12:16 AM, Muhammad Sajjad wrote:
> Thank you prof.
> could you let me know the solution to this problem? i have checked
> mailing list but unfortunately i can not solve it.
>
> On 8/27/12, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:
>> Some graphics options of old versions of WIEN2k are not compatible with new
>> gnuplot versions.
>>
>> There were several posts on the mailing list describing these problems.
>>
>> Am 27.08.2012 06:03, schrieb Muhammad Sajjad:
>>> Respected Group Members
>>> I am running wien version 8 on a machine of type Dell Core I5 Desktop
>>> with operating system FEDORA17 (64 BIT) , fortran compiler
>>> "intel_fortran_composer_xe_2011_lin". The purpose of my calculations
>>> is to get quantity ELECTRON DENSITY (ED) and DOS. I have completed SCF
>>> but when i try to get ED & DOS then the plots do not appear.what does
>>> happen there, i have attached it herewith the mail. please see the
>>> attachment. even though i have installed gnuplot with command yum
>>> install gnuplot.
>>> Also when i run SCF with 11 version then it works but i want to use 8
>>> version as i have some problems with version 11.  Please help me in
>>> this regard. In advance, thanks a lot.
>>>
>>> Kind Regards
>>> M. Sajjad
>>>
>>>
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>
>> --
>> -----------------------------------------
>> Peter Blaha
>> Inst. Materials Chemistry, TU Vienna
>> Getreidemarkt 9, A-1060 Vienna, Austria
>> Tel: +43-1-5880115671
>> Fax: +43-1-5880115698
>> email: pblaha at theochem.tuwien.ac.at
>> -----------------------------------------
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
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