The ABINIT Users Mailing List ( CLOSED )

[marc.torrent@cea.fr]

Dear Sergey,

A little error was present in the last version of AtomPAW2ABINIT (the one 
your downloaded). It has been corrected in the 1.5.1 version to be 
downloadable soon on the web site (when our webmaster find time to do it).

If you want to use your present PAW atomic data file, you just have to 
replace all "**" occurences by "3" in it.

Last question: why don't you use the "USSP-OPTIMIZED" atomic data sets for Al 
 downloadable from the periodic table (on web site) ? They are optimized and 
very effective...


Marc Torrent
CEA-Bruyeres-le-Chatel
France


===================================================
># From: "Sergey Lisenkov" <proffess@yandex.ru>
># To: forum@abinit.org
># Subject: Problem with reading PAW potential for Al
># Date: Thu, 8 Sep 2005 22:26:12 +0400 (MSD)
># Reply-to: proffess@yandex.ru


>Dear abinit users and authors,

>I try to tes PAW pseudopotential for Al with ABINIT. I created PAW data
>using ATOMPAW package with data provided by N. A. W. Holzwarth. I converted
>this PAW potential using atompaw2abinit code.

>But when I run abinit code I got the next error: