[Wien] Plotting the .rho file

2012-08-21 Thread Kateryna Foyevtsova
My personal favourite way of plotting 3D electron isosurfaces is 1) to use the xcrysden interface to calculate the electron density with lapw5 2) to save the result as an xsf file in xcrysden 3) to open the xsf file by VESTA and produce a nice figure there (I find that VESTA offers more freedom

[Wien] Regarding Rkmax choosing for molecular crystals

2012-08-21 Thread Kondaiah Samudrala
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[Wien] Non-Collinear Magnetism Wien2k

2012-08-21 Thread Jerry Bettis
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