[Pw_forum] how to relax the atoms position without changing the cell parameters

孙阳 sunyang198498 at gmail.com
Wed Jul 9 17:52:25 CEST 2008


Hi!
how could I relax the atoms position without changing the cell parameters
say, if i have a simple cubic cell with each point having a benzene
structure. How could I relax the benzene's atoms, say, hydrogen and
carbon with the fixed edge size within the simple cubic cell.

Thank you,

Yang


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