Dear All,
I want to study how the LF effect affects the band-structure of a material, is there any way to switch off the local-field effect in GW
calculation?
Thanks in advance!
Yuanxun
Search found 4 matches
- Tue Sep 20, 2011 9:08 am
- Forum: Many-body perturbation theory
- Topic: how to switch off the local-field effect in GW calculation?
- Replies: 1
- Views: 2884
- Fri Apr 23, 2010 4:44 pm
- Forum: Many-body perturbation theory
- Topic: anisotropy frequency dependent dielectric function from GW
- Replies: 1
- Views: 2655
Re: anisotropy frequency dependent dielectric function from
Dear all,
I found parameter in input list:
gw_nqlwl
Mnemonics: GW, Number of Q-points for the Long Wave-Length Limit
This may be helpful.
Yuanxun
I found parameter in input list:
gw_nqlwl
Mnemonics: GW, Number of Q-points for the Long Wave-Length Limit
This may be helpful.
Yuanxun
- Fri Apr 23, 2010 2:29 pm
- Forum: Many-body perturbation theory
- Topic: difference:(nbandkss) and (ecuteps Vs. ecutwfn)
- Replies: 2
- Views: 3163
difference:(nbandkss) and (ecuteps Vs. ecutwfn)
Dear all: Could someone give some explaination about the diferences between nbandkss and nband, also between ecuteps and ecutwfn? From papers,it is not so obvious to find some information about the nbandkss except nband which control the empty band,also it is no so easy to find some information abou...
- Fri Apr 23, 2010 3:46 am
- Forum: Many-body perturbation theory
- Topic: anisotropy frequency dependent dielectric function from GW
- Replies: 1
- Views: 2655
anisotropy frequency dependent dielectric function from GW
Deer All, How can I frequency dependent dielectric function from GW calculation?Thanks for suggestion! To get the dielectric, i found there are 9 colomns of chi0(G,G') (following) in the output file?Can someone give some short explanation about it's meaning? Thanks! chi0(G,G') at the 1 th omega 0.00...