[DFTB-Plus-User] MovedAtoms option
Ezgi Erdogan
ezgierdo at gmail.com
Fri Jul 24 12:37:12 CEST 2009
Dear Users,
I
would like to understand clearly the option MovedAtoms.
Lets assume that we have a geometry with 16 atoms of one type atom. Also,
geometry is ordered like
13 9 5 1
14 10 6 2
15 11 7 3
16 12 8 4
If I want to fixed the atoms in 1,2,3,4 and 13,14,15,16; what should be my
MovedAtoms= Range { x }
Thank you for your interest,
Ezgi
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