anaddb: problem with ngqpt

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

Moderators: MMNSchmitt, gonze

Locked
santosh2873
Posts: 1
Joined: Sun Sep 29, 2013 6:20 pm

anaddb: problem with ngqpt

Post by santosh2873 » 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

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: anaddb: problem with ngqpt

Post by mverstra » Tue May 27, 2014 12:29 am

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
Matthieu Verstraete
University of Liege, Belgium

Locked