[Wien] electron density

mohamadreza sahmani mohamadrezasahmani at gmail.com
Mon Aug 4 12:07:53 CEST 2014


Dear Wien2k developers and users
1. How exchange-correlation (r2v) in GGA method differs with r2v and
r2v_grr in mBJ method?
2. How to select E-range for lapw2 for electron density? (In other words,
is the energy compared to fermi energy?) What's the unit of energy (Ry or
eV) here?

Thanks
Reza Sahmani, University of Mohaghegh, Iran
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