in the
cell? The equivalent atom for ATOM3 is 4.
Best,
Hua Peng
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converges the electron
density with MSR1, you need to use MSR1a to minimize the forces.
__
Laurence Marks
Dept Mat Sci Eng
Northwestern University
www.numis.northwestern.edu
847 491 3996
On Jan 16, 2014 7:49 PM, Hua Peng penghu...@gmail.com wrote:
Dear Wien2k
: Subscript out of range.
Does anyone have a comment? How should I fix this problem? I'll appreciate
your answer.
Regards
Hua Peng
-
Hua Peng
Department of Physics
ShanDong University
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