[Wien] problem with Xcrysden 3D fermi surface for Ca

2009-08-24 Thread C. Strandkvist
Dear WIEN2k users, I using Xcrysden to generate 3D fermisurfaces and in general it does give results consistent with what I find in the literature (e.g. the TiC example featured on the Xcrysden website). At the moment I am looking at calcium and using the command 'xcrysden --wien_fermisurface d

[Wien] Problem while running the SCF cycle

2009-08-24 Thread JUPHY SANJAY
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