Some functionals have unclear origin, i.e. no publication where they were introduced.
|
case(p_rpbe_df) |
|
param = d3_param(a1=0.1820_wp, s8=0.8318_wp, a2=4.0094_wp) |
|
! TODO: find reference (it is not GMTKN55) |
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case(p_hcth120_df) |
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param = d3_param(a1=0.3563_wp, s8=1.0821_wp, a2=4.3359_wp) |
|
! TODO: find reference |
|
case(p_pwgga_df) |
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param = d3_param(a1=0.2211_wp, s8=2.6910_wp, a2=6.7278_wp) |
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! TODO: find reference |
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case(p_hsesol_df) |
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param = d3_param(a1=0.4650_wp, s8=2.9215_wp, a2=6.2003_wp) |
|
! TODO: find reference |
Some functionals have unclear origin, i.e. no publication where they were introduced.
simple-dftd3/src/dftd3/param.f90
Lines 326 to 328 in 442fbec
simple-dftd3/src/dftd3/param.f90
Lines 455 to 457 in 442fbec
simple-dftd3/src/dftd3/param.f90
Lines 464 to 466 in 442fbec
simple-dftd3/src/dftd3/param.f90
Lines 467 to 469 in 442fbec