[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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