Thank a lot Sir.
Andrei Postnikov <[EMAIL PROTECTED]> wrote: On Wed, 4 Jul 2007, vikas thakur
wrote:
| Dear users,
| Please try to find some time for my problem.
| it reads the input file but do not continue the calculation , it terminates
at end as follow
|
| read_vps: ERROR: You must generate a pseudopotential
| read_vps: ERROR: for each L up to 3
| Stopping Program from Node: 0
| Abort
|
Dear Vikas,
why don't you follow the advice you got in the output,
quite often error messages make sense:
You must generate a pseudopotential
for each L up to 3
Meaning, for C, that you should have four lines for l=0,1,2,3
in your potential input file, something like
--------------------------------------------------------------
pg Carbon Pseudopotential
tm2 2.0
C ca
0.0
1 4
2 0 2.00 0.00
2 1 2.00 0.00
3 2 0.00 0.00
4 3 0.00 0.00
1.25 1.25 1.25 1.25 0.0 0.0
--------------------------------------------------------------
Best regards,
Andrei
+-- 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-osnabrueck.de/apostnik/ --+
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