... and here what you get on output. On Tue, Feb 28, 2017 at 10:28 PM, 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
zno.scf.out
Description: Binary data
zno.nscf.out
Description: Binary data
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