Research Data Supporting "Computing the Kirkwood G-factor by Combining Constant Maxwell Electric Field and Electric Displacement Simulations: Application to the Dielectric Constant of Liquid Water"
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Authors
Zhang, Chao
Hutter, Juerg
Sprik, Michiel
Description
This contains sample input files for constant Maxwell electric field and electric displacement simulations in CP2K (https://www.cp2k.org/).
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Software / Usage instructions
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Keywords
liquid water, dielectric constant, Kirkwood g factor
Publisher
University of Cambridge
Sponsorship
EPSRC (UK Car-Parrinello)
Deutsche Forschungsgemeinschaft (ZH 477/1-1)
Deutsche Forschungsgemeinschaft (ZH 477/1-1)