Initial coefficients of what? charge density (subroutine "potinit"), Kohn-Sham orbitals (subroutine "wfcinit"), ...?
Paolo On Sun, Nov 11, 2018 at 5:20 PM Uwe Schneider <ud.s...@gmx.de> wrote: > Dear Sir or Madam, > > for a research project, I would like to change the initial coefficients > for the DFT circle. > > In which part of the code can I find this initialization? > > > > Best regards and thank you for your help, > > > > U.Schneider > > Technical University Munich > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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
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