[CPMD-list] USPP + mesh kpoints for geometry optimization
Charles Chen
polynmr at physics.unc.edu
Thu Mar 13 16:55:33 CET 2008
Dear CPMD users,
I just want to confirm this. The version I have (3.9.1) does not support
mesh point with USPP.
In the &BASIS section, what format I should follow to specify more basis
set. I tried this
&BASIS
PSEUDO AO 2
0 1
PSEUDO AO 3
0 1 2
&END
But it can not go through. When I comment out the second PSEUDO line,
still no success.
Thanks for reading.
Charles
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