Navigation :

ACEWithISDF

A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X

ACEWithISDF

Section ISDF
Type logical
Default no

If set to yes, Octopus will use interpolative separable density fitting (ISDF) to accelerate the calculation of adaptively compressed exchange in hybrid functionals. For more details, please refer to J.Chem.TheoryComput.2017, 13, 5420-5431. ISDF is currently only implemented for spin-unpolarized, molecular systems.

Source information

Featured in tutorials

Featured in testfiles