Comments (3)
Is the recent version of Quantum Espresso compatible with pw2z2pack.f90?
I'm not sure, but would be somewhat surprised if it was directly compatible. I haven't really modified the pw2z2pack
code since it was originally written (by Gabriel Autès), and it was based on the pw2wannier90
version then included in QE. So any changes in interface that pw2wannier90
had since then would likely need to be ported to pw2z2pack
.
Is there any restriction on the number of atoms per atom type in the unit cell for calculating the mirror Chern number?
Not that I'm aware of.
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Related Issues (20)
- Fix numpy dtype deprecation
- Can Z2pack calculate the Berry phase along a cirlce? HOT 4
- Can Z2Pack calculate Chern number by interfacing with Wien2k ? HOT 3
- Can the Z2pack run well with Quantum Espresso 6.6 HOT 46
- Check QE examples still work HOT 1
- Line calculations errors for one-dimensional graphene nanoribbons HOT 18
- Surface Projection HOT 2
- Surface function setting HOT 6
- About the cooperation between Z2Pack and first-principles codes, such as Quantum espresso and SIESTA. HOT 8
- Add skip_B1_tests to VASP example, update installation instructions
- Mirror Chern number and PAW pseudopotentials HOT 2
- question about the surface Parameters HOT 2
- Replace .pytest_cache for test data storage
- Add dependabot
- Simplify installation instructions
- Error when calculating the Chern invariant from Wannier90-output tight-binding model HOT 5
- Does Z2pack enforce any symmetries when calculating Berry phases? HOT 1
- Compilation error with qe-7.2 and 6.6 HOT 1
- Fix msgpack deprecation HOT 1
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