anaddb: problem with ngqpt
Posted: Sun Sep 29, 2013 6:26 pm
Dear member,
I have calculate DDB at gamma point and trying to get thermal property, setting ifcflag, and thermal flag.
DDB is missing kind of message is being displayed. is there any way out to calculate thermal property using res. calculation at gamma point only.
Santosh
I have calculate DDB at gamma point and trying to get thermal property, setting ifcflag, and thermal flag.
DDB is missing kind of message is being displayed. is there any way out to calculate thermal property using res. calculation at gamma point only.
Santosh