You are not reading scf data from the directory where the data is Paolo
On Wed, Mar 1, 2017 at 3:35 PM, project way <[email protected]> wrote: > thanks alot for helps Dear paolo, lorenzo and matteo > > as i run both scf and nscf code on 1 processor the following error appears > for nscf run: > > Error in routine pw_readfile (2): > error opening xml data file > > regards > > On Wed, Mar 1, 2017 at 12:58 AM, project way <[email protected]> > wrote: >> >> here are scf and nscf codes >> >> regards >> >> On Tue, Feb 28, 2017 at 8:25 PM, project way <[email protected]> >> wrote: >>> >>> On 2/28/17, project way <[email protected]> wrote: >>> > Hello >>> > Dear QE developers and users >>> > >>> > Im using QE-5.3.0 on ubuntu. I have been running my code using GGA+U >>> > and I used the U values of an article. the scf calculation was done >>> > without any problem but just in nscf calculations it seems that nscf >>> > program can not read U values and the following error was appeared: >>> > >>> > Error in routine read_rho_general (1): >>> > Reading ldaU ns >>> > >>> > thanks everyone who can help. >>> > >> >> > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
