[Wien] Requestion: Problem in Gap value??(semiconductor not mettalic)

[ahmad gharleghi]

Is that possible to say just a ratio of the calculation done?

is this calculations performed in k-point parallel mode?

Are the number of used cores are 6?

On Sun, Sep 27, 2015 at 11:15 PM, Laurence Marks <L-marks at northwestern.edu>
wrote:

> Maybe. We can only make suggestions for you to test.
>
> On Sun, Sep 27, 2015 at 9:00 AM, Marzieh Gh <mghoohestani18 at gmail.com>
> wrote:
>
>> Dear Laurence Marks
>> <http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22>
>>
>>
>>
>> <http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22>
>>
>> I did not clearly understand the cause of the problem. If put 4 spaces
>> before the 496 in case.in2, would solve my problem  ?
>>
>>
>> --
>> Marzieh Ghoohestani
>> PhD Student of Computational Nano Physics
>> Nano Research Center, Department of Physics
>> University of Technology, Isfahan, Iran
>>
>>
>
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu
> Corrosion in 4D: MURI4D.numis.northwestern.edu
> Co-Editor, Acta Cryst A
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought"
> Albert Szent-Gyorgi
>
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