I have succeeded in modifying the PW/tools/kpoints.f90 file but the quantum espresso still makes use of the previous version of the file.
Can you please assist in letting me know how I can update the program so the modified version is ran? I shall be greatly delighted to receive such help. Thanks a lot, Isaiah On Thu, Jun 22, 2017 at 2:50 PM, Isaiah Moses <[email protected]> wrote: > Thanks once again Paolo, > But unfortunately, it didn't work for the negative ibrav, > > I appreciate your assistance. > Isaiah > > On 6/22/17, Isaiah Moses <[email protected]> wrote: > > Great! > > Thanks a lot Paolo. > > I really appreciate your kind gesture. > > Isaiah > > > > On 6/22/17, Paolo Giannozzi <[email protected]> wrote: > >> On Thu, Jun 22, 2017 at 11:52 AM, Isaiah Moses <[email protected]> > >> wrote: > >> > >>> I don't have experience in fortran coding. > >> > >> it's time to get some. > >> > >> Anyway: the attached version should work for any allowed value of > >> ibrav (no warranty) > >> > >> Paolo > >> > >> -- > >> 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 > >> > > > > > > -- > > Isaiah Abu Moses > > Graduate Student, > > Physics Department, > > University of Ibadan, > > Nigeria > > > > > -- > Isaiah Abu Moses > Graduate Student, > Physics Department, > University of Ibadan, > Nigeria > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria
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