[Wien] electron density

2014-08-04 Thread mohamadreza sahmani
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

[Wien] electron density plot

2014-02-08 Thread mohamadreza sahmani
Dear Wien2k developers and users I want to plot electron density (2D) of a structure by XCrysDen. After following the procedure given in wien2k user guide, just a Thermometer Box appears. I want a plot like those depicted in Koller et al. (2011) [Merits and limits of mBJ exchange potential] Thanks