[Wien] A query on the header of case.qtl for DOS

Osama Yassin oayassin63 at outlook.com
Thu Jan 11 06:43:26 CET 2018


Dear all,


It was possible to plot the DOS of 2g and t2g orbital without any problem. In Wien2k 17.1 the header of the case.qtl file is changed to dx2-y2, dz2, dx, dy and dz ..etc. There is a note that we can plot eg and t2g orbitals, but does work.


Any comment or advice is this regard to plot eg and t2g using Wien2k.


O A Yassin


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