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