[CP2K-user] [CP2K:16836] Revised PBE

Josip Lovrić josip7lovric at gmail.com
Mon Apr 11 12:25:08 UTC 2022


Dear community,

my intention is to use revised PBE functional. 
Unfortunately, it seems cp2k is not recognizing its (GGA_X_PBE_R) keyword.
 Please feel free to give me any suggestions on how to fix this.
I am using cp2k9.1 version and I am attaching my input file.
error message:
*******************************************************************************
 *   ___                                                                   
    *
 *  /   \                                                                   
   *
 * [ABORT]                                                                 
    *
 *  \___/                invalid value for enumeration:GGA_X_PBE_R         
    *
 *    |                                                                     
   *
 *  O/|                                                                     
   *
 * /| |                                                                     
   *
 * / \                                     
input/input_enumeration_types.F:218 *
 *******************************************************************************

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