Re: [SIESTA-L] Pseudopotentials for F

2006-11-10 Thread Ö£ÈÊ»Û
Dear Prof. Edan and Prof.  Andrei Postnikov :    Thank you very much for your help! Ren-Hui Zheng> +-- Dr. Andrei Postnikov Tel. +33-387315873 - mobile +33-666784053 ---+| Paul Verlaine University - Institute de Physique Electronique et Chimie, || Laboratoire de Physique des Milieux Dens

Re: [SIESTA-L] Pseudopotentials for F

2006-11-09 Thread Andrei Postnikov
+-- Dr. Andrei Postnikov Tel. +33-387315873 - mobile +33-666784053 ---+ | Paul Verlaine University - Institute de Physique Electronique et Chimie, | | Laboratoire de Physique des Milieux Denses, 1 Bd Arago, F-57078 Metz, France | +-- [EMAIL PROTECTED] http://www.home.uni

Re: [SIESTA-L] Pseudopotentials for F

2006-11-09 Thread Ö£ÈÊ»Û
Dear Prof. Andrei Postnikov:    when I pg.sh the following Fluorine Pseudopotential with siesta-2.0, no vps or psf file is created and the errors are: cp: stat 'VPSOUT' failed; cp: 'VPSFMT' failed.  Is there any method for solving it? Ren-Hui Zheng> On Sun, 5 Nov 2006, Vasilii Artyukhov wrote:>

Re: [SIESTA-L] Pseudopotentials for F

2006-11-05 Thread Andrei Postnikov
On Sun, 5 Nov 2006, Vasilii Artyukhov wrote: | Hello everybody, | | Does anyone have a pseudopotential for fluorine? There's none on the SIESTA | website, and I'd like to first see how good the code works before trying to | generate my own pseudos. I need this for fluorinated hydrocarbons, so if

[SIESTA-L] Pseudopotentials for F

2006-11-05 Thread Vasilii Artyukhov
Hello everybody, Does anyone have a pseudopotential for fluorine? There's none on the SIESTA website, and I'd like to first see how good the code works before trying to generate my own pseudos. I need this for fluorinated hydrocarbons, so if you could share some pseudos for C and H that were opti