[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
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.
HAPPY NEW YEAR!
On 12/30/10 8:37 AM, "Eyvaz Isaev" <eyvaz_isaev at yahoo.com> wrote:
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)
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.
>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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