Can YAMBO support PBE now?

sdwang · Post by **sdwang** » Tue Dec 04, 2012 2:54 pm

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!

Post by **myrta gruning** » Tue Dec 04, 2012 3:15 pm

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

Post by **myrta gruning** » Fri Dec 07, 2012 10:19 am

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.

Post by **claudio** » Tue Jan 29, 2013 3:08 pm

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

sdwang · Post by **sdwang** » Tue Jan 29, 2013 3:13 pm

claudio wrote: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

Thanks Claudio!

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Can YAMBO support PBE now?

Can YAMBO support PBE now?

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Re: Can YAMBO support PBE now?

Re: Can YAMBO support PBE now?

Re: Can YAMBO support PBE now?