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the_density_functional_program [2024/01/27 11:30] – [Empirical damped dispersion correction] hesselmann | the_density_functional_program [2024/01/27 11:33] (current) – [Empirical damped dispersion correction] hesselmann | ||
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Note that not all functionals implemented in Molpro (and Libxc) are known to the D4 program (and vice versa). And in some cases the functionals supported by D4 might have a different identifier than used in Molpro. To see which functionals can be used with D4, see the documentation at [[https:// | Note that not all functionals implemented in Molpro (and Libxc) are known to the D4 program (and vice versa). And in some cases the functionals supported by D4 might have a different identifier than used in Molpro. To see which functionals can be used with D4, see the documentation at [[https:// | ||
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using the '' | using the '' | ||