[Pw_forum] Basis sets (plane wave)

[Surender Pratap]

Dear sir
I am new at QE want to solve my Graphene problem with QE,Is it possible to
solve with this software sir,or not.
with regards


Surender Pratap
Research Scholar
Physics Department
BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)...
Mob-7891949445


*Birla Institute of Technology & Science,* Pilani

Pilani 333031, Rajasthan, India

On Tue, Dec 30, 2014 at 11:24 PM, Sadegh Ghaderzadeh <
sa.ghaderzadeh at gmail.com> wrote:

> Dear Robert Hembree,
>
> Thank you very much for your attention and guidance.
>
> Regards
> Sadegh Ghaderzadeh
> Isfahan university of technology
>
> On Tue, Dec 30, 2014 at 9:44 AM, Robert Hembree <
> hembreerofphysics at gmail.com> wrote:
>
>> Getting the expansion coefficients isn’t very difficult. I found the
>> easiest way for me was to use pw_export.x and then look at the resulting
>> xml file. If you dig through the pw_export.x code you can work out how to
>> access them more directly.
>>
>>
>>
>> Robert Hembree
>>
>> Quantum Theory Project
>>
>>
>>
>> *From:* pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] *On
>> Behalf Of *Sadegh Ghaderzadeh
>> *Sent:* Tuesday, December 30, 2014 1:11 AM
>> *To:* PWSCF Forum
>> *Subject:* Re: [Pw_forum] Basis sets (plane wave)
>>
>>
>>
>> Dear Axel,
>>
>> Thanks for reply.
>>
>> You are right. So I should search for the expansion coefficients in the
>> output file, right?
>>
>> How can I find them in the output file?
>>
>>
>>
>> On Tue, Dec 30, 2014 at 8:57 AM, Axel Kohlmeyer <akohlmey at gmail.com>
>> wrote:
>>
>>
>> On Dec 30, 2014 5:54 AM, "Sadegh Ghaderzadeh" <sa.ghaderzadeh at gmail.com>
>> wrote:
>> >
>> > Dear QE users,
>> >
>> > I have a simple question. How can I find the file(s) containing basis
>> sets (plane waves)? I mean, where is the file in the installation directory?
>>
>> There is/are no such file(s). There is no need. The basis sets are
>> uniquely defined by the energy cutoff.
>>
>> Axel.
>>
>> >
>> > Thank in advance
>> >
>> > Sadegh Ghaderzadeh
>> >
>> > _______________________________________________
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>> > Pw_forum at pwscf.org
>> > http://pwscf.org/mailman/listinfo/pw_forum
>>
>>
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