[Pw_forum] NaN values for Tc calculations
Bahadir Altintas
bahadira at buffalo.edu
Tue Jan 31 21:31:08 CET 2012
I have some problem in calculation of Tc of a system with spacegroup 166
(LiH_6).
1. By adapting the example07 to my system, I tried to calculate Tc but I
got NaN values for both omega_log and T_c values in lambda.out also all
values are NaN in alpha2F.dat
In my calculation: there is no problem with phononDos btu i can not be
able to get any values for Tc. i am really confused.
P.S: there is no problem for Tc calculations of Li-fcc structure.
thanks if anyone has any suggestions
Bahadir Altintas
SUY Buffalo-USA
Dept. Chem
More information about the users
mailing list