Dear Jose A.Torres
Thank you very much.
Best regards
Akbar
On Sun, Jun 13, 2010 at 12:31 AM, Jose A. Torres
wrote:
>
> Dear Akbar:
>
> The fact that you got a SIESTA account means that
> you got a license, since no accounts are conceded
> unless you obtain a license (but for eventual mistakes
There is a GPL utility that is packaged with quantum espresso called evp that I
use for fitting the B-M equation of state.
-- Scott
On Jun 12, 2010 3:46 PM, Руслан Жачук wrote:
Dear Siesta users,
does anybody has an utility to share
which takes Ei(ai) as i
Dear Siesta users,
does anybody has an utility to share
which takes Ei(ai) as input and performs fitting to Murnaghan equation of
state E(V) and reports E0, a0, B0?
Regards
Ruslan
Dear Mehmet Topsakal:
Thank you for this information, but yes you are right
it is a little bit off the Mailing List purposes and topic.
In any case, I hope you manage to get your extra
quota increased, all the best luck for that.
Yours
Jose A.
On 6/11/2010 10:37 PM, Mehmet Topsakal wrote:
Hi
Dear Akbar:
The fact that you got a SIESTA account means that
you got a license, since no accounts are conceded
unless you obtain a license (but for eventual mistakes
in the process)
Yours
Jose A. Torres
On Sat, Jun 12, 2010 at 11:13 AM, akbar jahangiri wrote:
Dear Jose A. Torres
Thank
Dear Marcos:
After Speaking with they and Know exactly what theirs want, I write a
summary for all, with examples commented
Good Day.
JN
Em 12 de junho de 2010 11:02, Marcos Veríssimo Alves <
marcos.verissimo.al...@gmail.com> escreveu:
> Why not share the knowledge with the whole list?
>
>
> O
Why not share the knowledge with the whole list?
On Sat, Jun 12, 2010 at 12:11 AM, Julian Niño wrote:
> please, write me:
>
> *oso.a.2...@gmail.com
>
> In English,
> Portuguese
> or Spanish
> *
>
> 2010/6/11 Kemal Bagci
>
> Dear all,
>>
>> Have you ever done structural relaxation under Electric
Hello everybody
My question is:
What could be the better functional (GGA, LDA) for work with external
electric field ?
I like work with LDA, my reasons in this paper:
http://www.physics.fudan.edu.cn/tps/people/jgche/paper/PRB67-25411.pdf
(all can read this paper because are in public site)
Th
Dear Jose A. Torres
Thank you very much for your complete answer.
Still I have a question (I hope that is fine ). I had registered long back
on Siesta site, and as I remember I have accepted the terms which SIESTA
developers wanted to be accepted by users, now I already have Siesta's
account. My
- 原始邮件 -
发件人: apost...@uni-osnabrueck.de
发送时间: 2010年4月26日 6:33
收件人: siesta-l@uam.es
主题: Re:Re: [SIESTA-L] binding energy of SiC dimer
> Dear Andrei,
>
>> However, the essence of my previous message:
>> you do not calculate any SINGLE atom,
>> you always keep TWO atoms in the unit cell,
>
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