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QijingZheng
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VaspBandUnfolding
A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
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#26
MNovotny2
closed
5 months ago
1
Update procar.py
#25
bluehope
closed
9 months ago
0
Add calculation of PAW contribution on coulomb interactions, using GPAW's implementation
#24
Ionizing
closed
10 months ago
0
Read wavefunction from WAVRCAR for some specific purposes.
#23
hongyi-zhao
opened
1 year ago
4
Add calculation of PAW contribution on coulomb interactions
#22
Ionizing
closed
1 year ago
0
Change np.float and np.complex type
#21
boyoungzheng
closed
1 year ago
0
usage for hybrid/metagga bandstructure unfolding
#20
alpinnovianus
opened
1 year ago
1
No module named 'pysbt'
#19
byunghoETRI
closed
1 year ago
2
[vaspwfc] fix save2vesta volume factor bug
#18
Ionizing
closed
2 years ago
0
`save2vesta` did not multiply the cell volume
#17
Ionizing
closed
2 years ago
0
How to cite this repository
#16
ywuenthought
closed
2 years ago
1
How can I obtain the inverse participation ratio (IPR) value from the WAVECAR of vasp?
#15
wxsongsh
opened
2 years ago
0
Fix ax.scatter for atom-project band unfolding
#14
kavanase
closed
3 years ago
2
Confusion about transformation matrix
#13
chengyangXu
opened
3 years ago
3
Confusion about the installation
#12
Matephysics
opened
4 years ago
0
Assumption of lattice vectors
#11
atbug
closed
4 years ago
2
dtype=int is not enough? (readWFHeader in vaspwfc)
#10
mr-j-s
opened
4 years ago
3
Wave function in real space can't reproduce charge density from CHGCAR
#9
QianM-19
opened
4 years ago
2
Update README.md
#8
Ionizing
closed
2 years ago
0
Unfolding not working fo Si 4x4x4
#7
igorfirebolt
opened
4 years ago
0
Deal with situation: no space between signed numbers in PROCAR
#6
niasw
opened
4 years ago
0
elf_test error
#5
giorn
opened
5 years ago
0
Warning and error about dtype
#4
yingxiangcai
opened
6 years ago
0
Problem in testing the unfold example
#3
SreenivasIKST
opened
6 years ago
0
band unfolding with spinor
#2
anhph
opened
6 years ago
1
Installation
#1
sfragkos
closed
5 months ago
16