[Wien] Problem with effective U calculation
Ruben Weht
ruweht at cnea.gov.ar
Tue May 30 22:37:42 CEST 2006
Dear all,
I am trying to calculate an effective U following
Georg Madsen's notes.
However, the code stopped with an error message
in uplcore.error saying
'CORE' - NSTOP= 362 positive eigenvalue for 3D* Atom: 0 Ni1
'CORE' - Try to apply a potential shift in case.inc
I am using the last version of Wien.
Do you know how to solve this problem?.
Thanking you in advance,
Ruben
*===============================================*
| Ruben Weht |
| Departmento de Fisica - CNEA |
| Avda. General Paz y Constituyentes |
| 1650 - San Martin - ARGENTINA |
| Email: ruweht at cnea.gov.ar |
| Tel: (54-11) 6772-7104 |
| Fax: (54-11) 6772-7121 |
*===============================================*
More information about the Wien
mailing list