Page 1 of 1

anaddb: problem with ngqpt

Posted: Sun Sep 29, 2013 6:26 pm
by santosh2873
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

Re: anaddb: problem with ngqpt

Posted: Tue May 27, 2014 12:29 am
by mverstra
please provide input, output and error message - we can not guess what is going wrong. In principle, yes, you can calculate things even with just q=Gamma...

Matthieu