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Disp: Add D3(0) and D3(BJ) parameters for further functionals

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fstein93 authored and dev-zero committed Feb 5, 2020
1 parent bb043b1 commit 23848c01c5299af7f9d198f5901043fe0fb01a0c
Showing with 361 additions and 2 deletions.
  1. +26 −1 src/common/bibliography.F
  2. +335 −1 src/qs_dispersion_pairpot.F
@@ -86,7 +86,7 @@ MODULE bibliography
Schuett2018, Holmberg2018, Togo2018, Staub2019, Grimme2013, Grimme2016, &
Grimme2017, Kondov2007, &
Ren2011, Ren2013, Cohen2000, Rogers2002, Filippetti2000, Paziani2006, &
Toulouse2004, Limpanuparb2011, Martin2003, Yin2017
Toulouse2004, Limpanuparb2011, Martin2003, Yin2017, Goerigk2017

CONTAINS

@@ -4320,6 +4320,31 @@ SUBROUTINE add_all_references()
"ER"), &
DOI="10.1016/j.pnsc.2017.03.003")

CALL add_reference(key=Goerigk2017, ISI_record=s2a( &
"TY JOUR", &
"TI A look at the density functional theory zoo with the advanced GMTKN55 database ", &
" for general main group thermochemistry, kinetics and noncovalent interactions", &
"AU Goerigk, Lars", &
" Hansen, Andreas", &
" Bauer, Christoph", &
" Ehrlich, Stephan", &
" Najibi, Asim", &
" Grimme, Stefan", &
"PY 2017", &
"SP 32184", &
"EP 32215", &
"JF Physical Chemistry Chemical Physics", &
"JO Phys. Chem. Chem. Phys.", &
"VL 19", &
"IS 48", &
"PB The Royal Society of Chemistry", &
"SN 1463-9076", &
"DO 10.1039/C7CP04913G", &
"M3 10.1039/C7CP04913G", &
"UR - http://dx.doi.org/10.1039/C7CP04913G", &
"ER"), &
DOI="10.1039/C7CP04913G")

END SUBROUTINE add_all_references

END MODULE bibliography

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