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Scan the Brillouin zone to characterize the shape of nodal line, nodal net, etc.

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Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
README.md		README.md
genkpts.py		genkpts.py
grabnode.py		grabnode.py
makekpoints.py		makekpoints.py

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BZmesh

Scan the Brillouin zone to characterize the shape of nodal line, nodal net, etc.

Process:

scf calculation
make a folder BZmesh, containing pre folder
pre folder contains kpts.dat, INCAR, POSCAR, POTCAR, submit.sh, CHGCAR, WAVECAR
run makekpoints.py
submit jobs
run grabnode.py to deal with results

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Scan the Brillouin zone to characterize the shape of nodal line, nodal net, etc.

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Python 100.0%