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SYSTEM=sn36s36---band
ENCUT=323.3
EDIFF=1E-6
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IBRION=-1
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ICHARG=11
SIGMA=0.1
ISIF=0
NSW=0
LREAL=Auto
ISPIN=2
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POTIM=0.1
NPAR=4
NELM=60
LCHARG=TRUE
LWAVE=TRUE
ISMEAR=0
PREC=Accurate

Kpoints
k-points along high symmetry lines
20
Line-mode
Reciprocal
0.000  0.000  0.000          !G         
0.500  0.000  0.000          !X

0.500  0.000  0.000          !X
0.500  0.000  0.500          !U

0.500  0.000  0.500          !U
0.000  0.000  0.500          !Z

0.000  0.000  0.500          !Z
0.000  0.500  0.500          !T

0.000  0.500  0.500          !T
0.000  0.500  0.000          !Y

0.000  0.500  0.000          !Y
0.000  0.000  0.000          !G

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2Â¥: Originally posted by rlafite at 2020-11-03 04:13:38
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Kpoints
k-points along high symmetry lines
500
3Â¥2020-11-04 02:06:56
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