[Pw_forum] Reference of example07 (version 4.2.1) (Eyvaz Isaev)

Vo, Trinh (388C) Trinh.Vo at jpl.nasa.gov
Thu Dec 30 21:48:33 CET 2010

Dear Paul,

How are you?  I hope you are fine and enjoying the holidays.

I filled out the tie card today.  I saw one of the funding is  not there: the TE funding.  The ABSCO, I think, will be out in the next week.  If you don’t mind, could you renew these 2 funding if possible.  You don’t have to do it now, since it is holiday time now, and you probably have your own plan in the holidays.   I just let you know in advance since the week after New Year, I will need them for charging the time card.

I emailed you the data last week of the nscf run using the scf 9x9x9.  I am waiting for your calculation of Seebeck coefficient, so that I can decide whether I should run the scf 9x9x9 for the one atom case.   I don’t mean to ask you to do it now since it is your holidays, and you need to enjoy too.

I will fly back on Jan. 3, and from Jan 4 to Jan 6, I have class.  I am not sure if I can do anything much after the class.  I will try to work if I am not very tired.    See you after Jan. 6.



On 12/30/10 8:37 AM, "Eyvaz Isaev" <eyvaz_isaev at yahoo.com> wrote:

Dear Zhou,

It is a good idea citing  the paper as it contains all formulas used to calculate \lambda.


From: Xiang-FengZhou <zxf888 at 163.com>
To: pw_forum at pwscf.org
Sent: Thu, December 30, 2010 2:58:20 PM
Subject: Re: [Pw_forum] Reference of example07 (version 4.2.1) (Eyvaz Isaev)

Dear Eyvaz,
Thanks a lot for such quick response. I want to know the current method which is just implemented in espresso-4.2.1.
I guess it may be arXiv:cond-mat/0504077v2 <http://arxiv.org/abs/cond-mat/0504077v2>  with the title "Origins of low- and high-pressure discontinuities of Tc in niobium".
But I am not very sure about it.
Best regards,
Xiang-Feng Zhou
Nankai University

>Subject: Re: [Pw_forum] Reference of example07 (version 4.2.1)
>To: PWSCF Forum <pw_forum at pwscf.org>
>Message-ID: <642054.81981.qm at web65713.mail.ac4.yahoo.com>
>Content-Type: text/plain; charset="us-ascii"
>>From: Xiang-FengZhou <zxf888 at 163.com>
>>which will be the best reference for the example07 (electron-phonon calculation)
>>within the >version of 4.1 or 4.2.1 ?
>If you mean which one 4.1 or 4.2.1 is better for \lambda calculations, you can
>use both,   in my experience I do not see any difference between&n bsp;them.
>You can try CVS version which should give additional information (lambda.out)
>with \lambda and T_c). Hopefully it contains changes I have made in July.
> -------------------------------------------------------------------
>Prof. Eyvaz Isaev,
>Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
>Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
>isaev at ifm.liu.se, eyvaz_isaev at yahoo.com

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