Beautiful! Thanks so much Prof. Paolo. I now have my special q-points for ibrav = -12.
I appreciate your time. Isaiah On Thu, Jun 22, 2017 at 6:20 PM, Paolo Giannozzi <[email protected]> wrote: > "make pw" > > On Thu, Jun 22, 2017 at 6:36 PM, Isaiah Moses <[email protected]> wrote: > > 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 > > > > _______________________________________________ > > 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 > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria
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