Please try to better explain your question. The output k-points are always just what you specify in your input. Do you need to know how to set up k-point path in a band structure calculation? Units are unimportant, provided that, for a given choice of the units, you specify the right coordinates of the k-points you need.
Giovanni > On 9 Jun 2017, at 17:43, Praise Olutuase <[email protected]> wrote: > > Dear all, > > How do I ensure that the exact k-points in the input at the same that are > outputed with their energy values in a band structure calculation. Especially > if the inputed K-points are in crystal coordinates. Thanks > > Best Regards, > Praise, > Post Graduate Student, > University of Ibadan, Nigeria. > > Sent from my iPhone > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.fisica.unina.it/~cantele
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