On May 20, 2011, at 24:34 , Tram Bui wrote: > "charge is wrong: smearing is needed". Would you please > give me some information on how to solve this error?
use smearing > I have enclosed the input file here > really? 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
