[CP2K-user] [CP2K:19751] relation between V_RESP_CUBE and RESP charge?

[Jürg Hutter]

Hi

V_RESP_CUBE contains the electrostatic potential generated by the
RESP charges.

regards
JH

________________________________________
From: 'Libern Tang' via cp2k <cp2k at googlegroups.com>
Sent: Sunday, January 14, 2024 2:24 PM
To: cp2k
Subject: [CP2K:19748] relation between V_RESP_CUBE and RESP charge?

Hello, can anyone tell me the relation between  V_RESP_CUBE and the RESP charge.  V_RESP_CUBE is a continuous 3D file, but RESP charges are discrete charges on atoms. Please show me some equations.

Thanks a lot!

Tang

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