[Pw_forum] Types of pseudopotentials
bramha pandey
pandey.bramha at gmail.com
Sun Jul 29 15:21:18 CEST 2012
On Sun, Jul 29, 2012 at 6:17 PM, zafar rasheed <zafartariq2003 at yahoo.com>wrote:
> Dear All
> I am a bit confused about the type of pseudopotentials.
>
> PW91 ===> LDA or GGA? >>>>> it is GGA..
>
> PZ====> LDA ----is it right.....yes.
>
> PBE ======> GGA?...yes
>
> BLYP======> GGA? this is the another type of pseudopotentail whose
> property is similar to GGA means PBE.
>
> Better search at pw forum, you will find losts of info regarding this.
Muhammad Zafar
> PhD Scholar
> Department of Physics
> The Islamia University of Bahawalpur,Pakistan
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>
--
Thanks and Regards
Bramha Prasad Pandey
Ph.D Student Indian School of Mines(ISM)
Dhanbad, INDIA.
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