Dear Wien2k users , I'm a beginner at WIEN2k, a graduate student in physics.
I watched Peter Blaha's TiC sample video. In the video, energy convergence is selected in scf calculations and its value is 0.0001 , charge convergence is selected in the user manual and its value is 0.0001 . My first question; Should I write runsp_lapw *-cc 0.0001 -ec 0.00001* in optimize.job file? My second question; In scf calculations should I choose both -ec and -cc? My third question; Should I use the same -ec -cc values in the optimization and scf calculations? Thanks in advance Best regards, Hülya Gürçay
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