forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] ndtset >100 ??

From: "Luis Díaz" <ledssiul@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] ndtset >100 ??
Date: Mon, 10 Dec 2007 12:48:59 -0600
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=message-id:date:from:to:subject:in-reply-to:mime-version:content-type:content-transfer-encoding:content-disposition:references; b=gDrKGwZMbNp+L9qEzIT96otVbei4RVIdewVU0xkkuTo48HJvrLgAq3+Hb0vs1AH87Hg5MUiE3DWC8sOOBviWWjCrK2Et5mB9q4eIZ6/msmdaEG2lZjSh9Z/9jDfaJ0GldrrDOUKrw3iL3j3ayFw76I/ZLDdCFjzcQdBOIllB0ik=

Dear "bahattinerdinc@yyu.edu.tr?"

You can split your input file in several q vectors (ndtset<100) and to
use the "mrgddb" utility to merge the different derivative database
files.

Please, take a look, and follow the "response-function 1-2" tutorials...

http://www.abinit.org/Infos_v5.4/tutorial/lesson_rf1.html

Best regards,

Luis Diaz

On Dec 10, 2007 11:52 AM, <bahattinerdinc@yyu.edu.tr> wrote:
> Dear Abinit-user
>
>
> I am trying to do a phonon dispersion calculation using "respond function"
> in Abinit. if in My input file is get ndtset = 114,
> abinit : ERROR -
> Input ndtset must be non-negative and < 100, but was 114
> This is not allowed.
> Action : modify ndtset in the input file.
>
> leave_new : decision taken to exit ...
>
>
>
> Why ndtset = 114 is not get?
>
>
> please help me about this.
>
>
> best regards
>
>
>

ndtset >100 ??, bahattinerdinc, 12/10/2007
- Re: [abinit-forum] ndtset >100 ??, Luis Díaz, 12/10/2007