cRPA without the wannierization window

Moderators: gmatteo, bruneval, rigna

cRPA without the wannierization window

Postby Abinit » Wed Jul 04, 2018 11:46 am

To whom it may concern,

I am using abinit to do cRPA calculation to determine U for DMFT. In the turial, I noticed that the wannier orbitals should be defined with " ucrpa_bands3 21 25", which means the band information between 21th and 25th band are considered to construct wannier orbital.

However, in my real case, by fat band analysis, the main bands which are relevant to our model are seperated to each other, like 120th, 121th, and 125th bands, and 121th 123th 124th bands are not our interest. Could anyone please tell in this case how I choose the wannierization window by 'ucrpa_bands'? I will appreciate it.

Best regards
Zhishuo
Abinit
 
Posts: 1
Joined: Wed Jul 04, 2018 11:31 am

Return to GW

Who is online

Users browsing this forum: No registered users and 1 guest

cron