Environ for 1D systems
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Anjaly Baiju
Aug 13, 2024, 9:21:40 AM8/13/24
to quantum-environ-users
Can any one assist me in find solvation energy for 1D material via environ.
Is this implemented in Environ??
Eric Read
Oct 21, 2024, 5:57:51 PM10/21/24
to quantum-environ-users
1D periodic corrections as of yet have not been implemented in Environ. However, if you use 2D parabolic periodic boundary corrections while making the cell very large in one of the perpendicular axes, that should work.
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