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epskw

Fortran-90 and Matlab codes for computing the nonlocal dielectric susceptibilities of molecular liquids from molecular dynamics trajectory files. It can also compute distance-decomposed dielectric spectra. 

IACS Researchers

Daniel C. Elton

Funding

DOE Award No. DE-FG02-09ER16052

Website

https://github.com/delton137/epskw

Journal reference

Elton, D. C. and Fernandez-Serra, M.-V. “The hydrogen bond network of water supports propagating optical phonon-like modes” Nat. Comm. 7, 10913 (2016)