[Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution

Paolo Giannozzi p.giannozzi at gmail.com
Thu Jun 22 19:20:50 CEST 2017


"make pw"

On Thu, Jun 22, 2017 at 6:36 PM, Isaiah Moses <imoses87 at gmail.com> 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 <imoses87 at gmail.com> 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 <imoses87 at gmail.com> wrote:
>> > Great!
>> > Thanks a lot Paolo.
>> > I really appreciate your kind gesture.
>> > Isaiah
>> >
>> > On 6/22/17, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
>> >> On Thu, Jun 22, 2017 at 11:52 AM, Isaiah Moses <imoses87 at gmail.com>
>> >> 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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-- 
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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