[CP2K-user] potential-problem
Atish Ghosh
atishgh... at gmail.com
Sun Aug 9 13:18:31 UTC 2020
Dear admin and all group member,
Can anybody help me by providing the basis set and potential (preferably
for PBE xc potential) for geometry optimization AuSe system?
my input :
&KIND Se
BASIS_SET DZVP-GTH-PADE
POTENTIAL GTH-PADE-q6
&END KIND
&KIND Ag
BASIS_SET DZVP-GTH-PADE
POTENTIAL GTH-PADE-q11
&END KIND
Error info:
*******************************************************************************
*
___ *
* /
\ *
*
[ABORT]
*
* \___/ The requested basis set <DZVP-GTH-PADE> for element <SE> was
not *
* | found in the basis set files
<./BASIS_SET> *
*
O/| *
* /|
| *
* / \
aobasis/basis_set_types.F:1536 *
*******************************************************************************
Please help me in this aspect.
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