[DFTB-Plus-User] Simulating atoms in a box

[Shahila Muhammed]

Dear DFTB+ users,

How does one give coordinates for a cube of a specific dimension in which
atoms are enclosed and are allowed to move. How do i specify the box
dimension or boundaries along with the coordinates of the atoms in the
geometry part of the input.

Shahila
-- 
Shahila Muhammed
Research Scholar
National Institute of Technology Calicut
Kozhikode, India
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