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

Muhammad Sajjad sajjadpu at gmail.com
Sun Sep 2 06:15:52 CEST 2012


Thank you so much Professor. It is working now.

On 8/28/12, Gavin Abo <gsabo at crimson.ua.edu> wrote:
> 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
>>>>
>>>>
>>>>
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>>>>
>>> --
>>> -----------------------------------------
>>> 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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>
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