First I have to thank Pr Blaha for the clarification and I am sorry the wrong statement and I have to correct it as I have found it in the book " Planewaves Pseudopotentials and the LAPW Method" at the page 81 which the author stated " Further, the FSM procedure is quite useful in obtaining good starting spin densities to be used in standard spin-polarized calculations" and this is in agreement to what Pr Plaha said.
Second I have thank Pr Laurence for the alternative solution to the convergence problem which exist in spin polarized calculations. Best regards -- Dr. Abderrahmane Reggad Engineering Physics Laboratory Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000, Algeria Tel: +213(0)561861963 - Algeria
_______________________________________________ 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
