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

Reply via email to