[Pw_forum] QHA compiling

Eyvaz Isaev eyvaz_isaev at yahoo.com
Thu Mar 3 18:26:10 CET 2011


Ok, I will send it to you personally.

Bests,
Eyvaz.

  

----- Original Message ----
From: Mahdi Mirnezhad <mirnezhad.mm at gmail.com>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Thu, March 3, 2011 8:21:54 PM
Subject: Re: [Pw_forum] QHA compiling

Dear Prof. Eyvaz Isaev,
Could you please provide a additional example for QHA?
Thanks

Mahdi

On 3/3/11, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:
> Dear Mahdi,
>
> It was distributed together with QE 4.2.
> The latest version is in my laptop.  I have to finish all the changes.
> If you have high symmetry crystals, you should not be worried about the
> latest
> version.
>
> Bests,
> Eyvaz.
>
>
>
>
> ----- Original Message ----
> From: Mahdi Mirnezhad <mirnezhad.mm at gmail.com>
> To: PWSCF Forum <pw_forum at pwscf.org>
> Sent: Thu, March 3, 2011 7:45:20 PM
> Subject: Re: [Pw_forum] QHA compiling
>
> Dear Prof. Eyvaz Isaev,
> Thanks for your replies. Where can i find the latest version of QHA. I
> can not find it in the latest version of esperesso (espresso-4.3a).
>
> Mahdi Mirnezhad
>
>
>
> On 3/3/11, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:
>> In addition to my previous mail: now one can edit make.inc  file to change
>> the
>> compiler.
>>
>> Bests,
>> Eyvaz.
>>
>>
>>
>> ----- Original Message ----
>> From: Eyvaz Isaev <eyvaz_isaev at yahoo.com>
>> To: PWSCF Forum <pw_forum at pwscf.org>
>> Sent: Thu, March 3, 2011 6:06:46 PM
>> Subject: Re: [Pw_forum] QHA compiling
>>
>> Dear Mahdi,
>>
>> It is very easy with the applied tar (I have introduced a small changes to
>> vary
>> fortran compiler). It is the same as in QE 4.2, without example files.
>> Many changes (to support more Bravais lattices) will come in the next
>> release.
>>
>> Any problem, please contact me.
>>
>> Bests,
>> Eyvaz.
>>
>> -------------------------------------------------------------------
>> Prof. Eyvaz Isaev,
>> Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
>> Sweden
>>
>> Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
>> Russia,
>>
>> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
>>
>>
>>
>> ----- Original Message ----
>> From: Mahdi Mirnezhad <mirnezhad.mm at gmail.com>
>> To: pw_forum <pw_forum at pwscf.org>
>> Sent: Thu, March 3, 2011 5:06:22 PM
>> Subject: [Pw_forum] QHA compiling
>>
>> Dear Developers,
>> How can we compile the QHA package with gfortran as a compiler for
>> fortran?
>>
>> Thanks for you reply
>>
>> mahdi Mirnejad
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