Single point energy of VASP
bader/LELF

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LAECHG = T
LCHARG = T
LELF = T
NSW = 1

bader.sh
get_bader.py

pdos

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LWAVE = T
LORBIT = 11
NSW = 1
ISMEAR = -5

get_pdos_selected_atoms_and_orbitals.sh O 2p
K点放大到2倍