[CPMD-list] Pt uspp potential incompatible with cpmd

Li Chen chenl at rpi.edu
Fri Apr 6 18:16:02 CEST 2007


Dear all,

I used uspp 736 to generate an Pt vdb pseodopotential and reformed it to a
formatted one. But cpmd complains this potential "incompatible with CPMD".

Then, I generated a Carbon vdb pp from uspp736, and this time it worked.

Then I tried gold, and got the "incompatible with CPMD" error again. But the
au_vdb_***.psp potential which I got from cpmd website _is_ compatible with
CPMD.

So..I'm not really sure where I went wrong... Is there any way that I can
make it compatible?


Also, I think cpmd does not support kpoints for vdb(??), is there somewhere
that I can get a norm-conserved pp for Pt?


Thanks a lot,
Good day,

Li
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