RESP charges

anirban mondal anirbanbl... at
Tue Aug 20 11:40:33 UTC 2013

Dear CP2K users/developers,
  I am trying to compute the RESP charges for some periodic and
nonorthorhombic systems (using &RESP). But I found some error while
calculating the charges;

*CP2K| UNIMPLEMENTED, RESP charges implemented only for orthorhombic cells!*

How should I use this keywords combination or adding extra keywords to make
it work?
Hope you can help me.

Anirban Mondal
*Molecular Simulations Lab.*
*Jawaharlal Nehru Centre for Advanced Scientific Research*
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