25 lines
307 B
Plaintext
25 lines
307 B
Plaintext
SYSTEM = LiGePS static SCF
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ISTART = 0
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ICHARG = 2
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ENCUT = 520
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NPAR = 8
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PREC = Normal
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GGA = PE
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EDIFF = 1E-6
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ALGO = Normal
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NELM = 120
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NSW = 0
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IBRION = -1
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ISPIN = 1
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ISMEAR = 0
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SIGMA = 0.05
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LASPH = .TRUE.
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LREAL = .FALSE.
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ADDGRID = .TRUE.
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ISYM = 2
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LCHARG = .FALSE.
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LWAVE = .FALSE.
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KSPACING= 0.25
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KGAMMA = .TRUE.
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