[Pw_forum] wannier center from midpoint.out

2017-10-06 Thread Nayana Devaraj
how to obtain wannier centers from the output file generated using midpoint.x ? -- *Nayana Devaraj* ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum

[Pw_forum] Fwd: wannier center from midpoint.out

2017-10-07 Thread Nayana Devaraj
-- Forwarded message -- From: Nayana Devaraj <nayanadeva...@gmail.com> Date: Fri, Oct 6, 2017 at 11:55 AM Subject: wannier center from midpoint.out To: pw_forum@pwscf.org how to obtain wannier centers from the output file generated using midpoint.x ? -- *Nayana D

[Pw_forum] (no subject)

2017-10-08 Thread Nayana Devaraj
Dear QE users, How to choose k points of a hexagonal structure for wannier transport calculation? It is showing error when i use k points generated using utilities like kmesh.pl , kgrid and kpoints.x . -- *Nayana Devaraj* ___ Pw_forum mailing list

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2017-10-23 Thread Nayana Devaraj
diagrom. There I selected k points using Xcrysden. But if I use the same k points in wanT it's showing error. -- *Regards,* *Nayana Devaraj* ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum