| Error in Cholesky factorisation in rdiag
| Stopping Program from Node:0
|
| I don't know what is exactly the problem ?
A good chance that it is due to an error in input,
e.g. two atoms at the same place
Good luck,
Andrei Postnikov
+-- Dr. Andrei Postnikov Tel. +33-387315873 --
Dear SIESTA users,
I'm a new user of SIESTA and I try to run some little input in order to learn
SIESTA.
I have a problem with a calculation of a phenol molecule.
Here is the end of my output :
outcell: Unit cell vectors (Ang):
11.6817490.000.00
0
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