... | @@ -832,9 +832,13 @@ Functional names not from LibXC are listed at the end. |
... | @@ -832,9 +832,13 @@ Functional names not from LibXC are listed at the end. |
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Functionals not in LibXC.
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Functionals not in LibXC.
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# van der Waals correlation functionals
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# van der Waals correlation functionals.
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# The full functionals, if their standard corresponding exhange functionals are used, would be:
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# vdW-DF: gga_x_pbe_r + vdw_c_df1
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# vdW-DF2: gga_x_rpw86 + vdw_c_df2
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# vdW-DF-CX: gga_x_lv_rpw86 + vdw_c_df_cx
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* '''vdw_c_df''': vdW-DF or van der Waals density-functional
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* '''vdw_c_df1''': vdW-DF or van der Waals density-functional
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* [http://dx.doi.org/10.1103/PhysRevLett.92.246401 M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)](doi:10.1103/PhysRevLett.92.246401)
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* [http://dx.doi.org/10.1103/PhysRevLett.92.246401 M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)](doi:10.1103/PhysRevLett.92.246401)
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