[Wien] no linear optic problem
peter anders
german.sr at hotmail.com
Sun Dec 21 13:14:34 CET 2008
Dear wien2k userI downloaded the nonlinear optical fortran code avariable in the web (NLO-SC.tar.gz) and I could compile by making some changes in the makefile, my question is how to use it, because it doesn't exist a userguide for it, must we run after a normal linear optic calculation of or after an scf, if yes is it decompressed (NLO-SC.tar.gz) in SRC_optic of wien, or creates a new SRC_NLoptic and recompile the wien2k code , and finally how to begin the process of calculating : x nlo or nlo run and what are the input files.
the Input files needed are :
case.innlo : the master input file
case.mommat : The momentum matrix elements
case.weight : eigenvalues and weight of kpts
how the construct the file case.innlo and case.mommat, because my case.mommat after an scf calculation is always empty
Thank you a lot
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