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25 lines
700 B
Text
25 lines
700 B
Text
# vdW-DF1: M. Dion, H. Rydberg, E. Schroeder, D.C. Langreth, and B.I.
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# Lundqvist, Physical Review Letters 92 (2004) 246401. Note: This should
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# really be cited together with erratum: PRL 95, 109902 (2005)
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#
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# CUTOFF should be optimised for accuracy and efficiency
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#
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&XC
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&XC_FUNCTIONAL
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&PBE
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PARAMETRIZATION revPBE
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SCALE_C 0.0
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&END PBE
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&PW92
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&END PW92
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&END XC_FUNCTIONAL
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&vdW_POTENTIAL
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DISPERSION_FUNCTIONAL NON_LOCAL
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&NON_LOCAL
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TYPE DRSLL
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VERBOSE_OUTPUT
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KERNEL_FILE_NAME vdW_kernel_table.dat
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CUTOFF 50
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&END NON_LOCAL
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&END vdW_POTENTIAL
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&END XC
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