[Wien] nnn error in mixer

EB Lombardi lombaeb at science.unisa.ac.za
Wed Oct 20 14:15:01 CEST 2004


Dear Prof Blaha

Geometry minimization experiences the same problem as lapw1 ('NN' - nnn 
too small). Setting NNN=10000 in SRC_mini/param.inc solves the problem.

Regards

Enrico Lombardi

--
Dr Enrico B Lombardi
Physics Department
University of South Africa
P.O. Box 392
0003 UNISA, Pretoria
South Africa
Tel: +27 (0)12 429-8027
Fax: +27 (0)12 429-3643
e-mail: lombaeb at science.unisa.ac.za






More information about the Wien mailing list