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23 lines
309 B
Plaintext
23 lines
309 B
Plaintext
SYSTEM = SrVO3
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NCORE = 4
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LMAXMIX=6
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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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! switch off symmetries
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ISYM=-1
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# Smearing procedure
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ISMEAR = -5
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# the energy window to optimize projector channels
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EMIN = 3.9
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EMAX = 7.1
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# use the PAW channel optimization
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LORBIT=14
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# project to V d
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LOCPROJ = 2 : d : Pr |