Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] KSS not forming

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] KSS not forming


Chronological Thread 
  • From: Dev Sharma <champbond1983@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] KSS not forming
  • Date: Fri, 30 Oct 2009 23:14:34 +0530
  • Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=mime-version:in-reply-to:references:date:message-id:subject:from:to :content-type; b=LIhmYUHgHsomjsCiakHeVTllmt6QMUrtjfgktMQ0K/tUWT/rGGeqnABeb5UGEfwYuh MvskOrUlaBxJ2YfGxMcQlDBcSTwmKC3Ke6Uamww6+xlivD8xGWIGwVjjq/6LrLOs97rK LA8aXdd0q1hdygxtuESCpa9W1yhdq8W9RuKz4=

hi fabin,
Surely. I will look into my structure. I know there are some problems with it.
thanks
take care
dev


On Fri, Oct 30, 2009 at 10:13 PM, Fabien Bruneval <fabien.bruneval@cea.fr> wrote:
In addition to Conor's comment, there seems to be a problem with the structure...

    symrel    1  0  0   0  1  0   0  0  1       1  0  0   0 -1  0   0  0 -1
     tnons    0.0000000  0.0000000  0.0000000    -0.0000000  0.0000029  0.0000047

The translations are *extremely* weird.


Fabien








On 10/30/2009 04:45 PM, Dev Sharma wrote:

hi Fabien Bruneval,

Sorry. Actually, my gmail was showing error that your mssg was not sent, every time.
Thats  why, by mistake, i have sent it many times.
Sorry for that again.

I have attached my log and out files here. here I have decreased the ecut and tolwfr here , but tried it with larger values also.
Please have a look on the output files.

Thanks
with regards
Dev
University of Delhi, India








Archive powered by MHonArc 2.6.16.

Top of Page