[Wien] Exchange correlation functional for Sn

[shamik chakrabarti]

Dear Wien2k users,

                             I want to calculate accurate energy value for
a unit cell of Sn. In doing so what would be the exchange correlation
potential? Is it LDA or GGA or any other else?

Also should I use spin polarization? I have used spin polarization in
simulating  the compound SnS2 and now want to consider dealloying voltage.

Any response in this regard is appreciated. Thanks in advance.

with regards,


-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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