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22 lines
568 B
Text
22 lines
568 B
Text
# vdW-DF2-b86r: I. Hamada, van der Waals density functional made accurate,
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# Physical Review B 89, 121103 (2014).
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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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&GGA_X_B86_R
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&END GGA_X_B86_R
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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 LMKLL
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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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