[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