Page 1 of 1
Can YAMBO support PBE now?
Posted: Tue Dec 04, 2012 2:54 pm
by sdwang
Dear developers:
Recently I want to do some calculations with Yambo, and I have to choose PBE functional as the groundstate calculations. I want to kown if Yambo can support PBE in GW and BSE calculations now?
Thanks!
Re: Can YAMBO support PBE now?
Posted: Tue Dec 04, 2012 3:15 pm
by myrta gruning
If I am not wrong the latest versions should be able to handle it.
You will find it in the report anyway.
Just run the Hartree-Fock Self-energy and local XC (yambo -x) for one state. In the report it will say if it is uing LDA (with a warning) or really PBE.
m
Re: Can YAMBO support PBE now?
Posted: Fri Dec 07, 2012 10:19 am
by myrta gruning
I am sorry, I got confused. Checking better I realized that the development is still in test phase and not yet included in the trunk. I guess it will be in the next release though. Please ignore my previous message.
Re: Can YAMBO support PBE now?
Posted: Tue Jan 29, 2013 3:08 pm
by claudio
Check the last version of Yambo 3.2.5 (rev30) that supports GGA-familyfunctionals.
http://qe-forge.org/gf/project/yambo/fr ... ase_id=127
Re: Can YAMBO support PBE now?
Posted: Tue Jan 29, 2013 3:13 pm
by sdwang