On Aug 15, 2008, at 11:41 , only1xiaoyuan wrote: > I am about to calculate g tensor of EPR using GIPAW, > but there are some questions .Could anyone tell me > what means the following error message: > ---------------------------------- > from davcio : error # 14 > error while reading from file > -----------------------------------
it means that there was an error while reading from file (opened as fortran unit 14) > is it due to lda+U in scf calculation? please try a calculation without U and answer by yourself Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
