KPOINTS file using VASP for Z2pack.fp.system

Wei Li verali at udel.edu
Wed Nov 2 01:58:33 CET 2016


Dear z2pack team,

I am a Ph.D student in University of Delaware, and I am studying to do z2 invariants calculation using z2pack. 

When I creat z2pack.fp.system, I feel confused about the input files. The tutorial shows that the KPOINTS file used in the NSCF run
should not be in input files, but when I read run.py, there shows the kpt_path=“KPOINTS” . Do I need to include the KPOINTS file?

Can you can me to check if I created the z2pack.fp.system properly as following:

 z2pack.fp.System file:

CONTCAR   INCAR      KPOINTS  PCDAT   REPORT         WAVECAR
DOSCAR    input      kpts.py  POSCAR  run.py         XDATCAR
EIGENVAL  jobpython  OSZICAR  POTCAR  vasprun.xml    z2pack.fp.kpts.vasp
IBZKPT    jobz2pack  OUTCAR   PROCAR  wannier90.win

input file:
CHGCAR  DOSCAR  INCAR  POSCAR  POTCAR  run.py  wannier90.win 

KPOINTS file:
z2pack.fp.kpts.vasp

Is that ok?

Regards
Wei Li

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