[CP2K-user] [CP2K:19748] relation between V_RESP_CUBE and RESP charge?
'Libern Tang' via cp2k
cp2k at googlegroups.com
Sun Jan 14 13:24:18 UTC 2024
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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