[Wannier] Problems with the kslice module

氏家勇 isamuosamu1363 at gmail.com
Tue Jul 13 04:15:35 CEST 2021


Dear All,

I am using Quantum ESPRESSO v.6.7 and Wannier90 v.3.1.0.

I've asked a similar question before, but I've made some progress and would
like to discuss it.

I have faithfully performed the calculations in Example 17 of Wannier90,
but there is an anomaly in the output 'Fe-kslice-fermi_spn.dat'.

When I increase the value of kslice_2dkmesh, the output file is completely
empty.

Specifically.
For very small values like the following, I was able to calculate
kslice_2dkmesh = 15 15

However, if I set it to a slightly larger value like the following, I get
an empty file
kslice_2dkmesh = 50 50
or
kslice_2dkmesh = 100 100

Can anyone help me identify the cause of this problem?

Thank you in advance.
##################################
Isamu Ujiie

Graduate School of Engineering
Hokkaido University
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