Z2Pack
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Z2PackDev
A tool for calculating topological invariants.
hello developers ， I get some questions about the surface Parameters. I use the TBmodels constructing model manually which is 2D materials Hamilton . Then I use the Z2pack to...
Dear z2pack developers, I am trying to calculate the mirror Chern number using the z2pack. I am using QuantumESPRESSO 5.3 and pw2z2pack.x program from here: https://github.com/Z2PackDev/Z2Pack/tree/master/2.1.x/examples/fp/pw2z2pack. The calculation crashes on...
I'm still not so clear about the guidance described [here](https://z2pack.greschd.ch/en/latest/tutorial/installation.html#setting-up-first-principles-codes): ``` Z2Pack uses the Wannier90 software to compute overlap matrices from first-principles. This means that Z2Pack can be used with...
Hi! I'm a beginner and tried bulk Bi2Se3 with first principle (vasp) as an exercise. I found that when I used the different orientations of the POSCAR for system, the...
Hi, Recently I am using the Z2pack to calculate Z2 invariant for one-dimensional graphene nanoribbons. I chose a literature-reported GNR (7-armchair GNR, Phys. Rev. Lett. 2017, 119, 076401, Z2=1). Before...
The kpoints.py file was modified to add an interface to Elk, an all-electron DFT code (http://elk.sourceforge.net/). Example Elk and Z2Pack input files for Bi2Se3 were also added.
``` msgpack/__init__.py:58: PendingDeprecationWarning: encoding is deprecated, Use raw=False instead. return unpackb(data, **kwargs) ```
Can you explain how does the pw2z2pack code perform the separation of Wannier eigenstates into two symmetry sectors or give me any reference to understand how to perform such separation?...
``` tests/test_z2_invariant.py:86: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this,...