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31 lines
392 B
Plaintext
31 lines
392 B
Plaintext
SYSTEM = SrVO3
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ENCUT = 450
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ICHARG=2 ! 5 for fcsc calculations (communication with python)
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! switch off symmetries
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ISYM=-1
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EDIFF = 1.E-10
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!! DOS energy window
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NEDOS = 2001
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!! Smearing procedure
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ISMEAR = -5
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!! real/reci projection scheme
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LREAL = .FALSE.
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NCORE = 4
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LMAXMIX=6
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LORBIT=14
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EMIN = 3.9
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EMAX = 7.1
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LOCPROJ = 2 : d : Pr
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!! write WAVECAR, CHGCAR
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LWAVE = .FALSE.
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LCHARG = .FALSE.
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