Sir, As we know that hf potential is too much expansive in comparison of LDA and GGA, so I want to know the following: 1. When I run the command init_hf_lapw, Should I put same number of k-points in fbz which I used during init_lapw? 2. Can I calculate band gap of semiconducting compounds using reduced k-mesh in hf potential? 3. What precautions should I use during running hf potential? 4. Is there any need to *converge* the values of alpha, Lambda, *gmax, lmaxe & lmaxv* in *case.inhf* file? If yes, then what will be the procedure?
Thanking you! Peeyush Kumar Kamlesh
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
