On Jun 21, 2011, at 19:41 , ar_ma86 at libero.it wrote: > I'm new with pw
definitely so: http://www.quantum-espresso.org/wiki/index.php/Pw_users, notably the second item. > I guess that fixing total magnetization the program fixes the > occupation numbers of the bands and so it cannot make a > smearing. But is it correct? it is > are the two options compatible or not? no P. -- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
