[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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