| 7:56:11 PM PST - Fri, Jan 13th 2017 |
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Dear NWChem developers and users,
I would like to know the definition of "periodic boundary condition" of NWChem.
In the case of "Octopus" tddft code, the definition of periodic boundary condition by default is as follows.
By default Octopus assumes zero boundary conditions, that is, wave functions and density are zero over the boundary of the domain.
Thank you,
Toshiharu Higuchi
Yokohama, Japan
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