On Mon, 2013-09-30 at 02:02 -0700, Fadjar Fathurrahman wrote: > norm = sqrt( zdotc( npw, evc(1:npw,ibnd),1, evc(1:npw,ibnd),1 ) )
it is safe to use old-style syntax with old-style functions like zdotc. For complex wavefunctions (i.e. not valid for the Gamma-only case): norm = sqrt( abs(zdotc( npw, evc(1,ibnd),1, evc(1,ibnd),1 )) ) > after init_wfc(ik) in c_bands.f90 resulting in value about > 1.d0/sqrt(2.d0) (for norm conserving case). Isn't this > supposed to be close to one? it is one. P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
