[Wien] GGA vs PBE query

chin Sabsu chinsabsu at yahoo.in
Wed Aug 1 13:35:19 CEST 2018


Dear All
For some case, I am getting optimized parameters with GGA while PBE is overestimating.
It is well known from the literature that for most of the cases, PBE is good for band structure.
So I am curious to know whether I  can do optimization with GGA and then use PBE with GGA optimized parameters?
Looking forward to hearing from you. 

Kind regardsBhamu
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