[CP2K-user] "Automatic basis set generation not activated" Error

Mohammad Shakiba mshakiba.... at gmail.com
Sat Jul 18 17:41:05 UTC 2020


Hello everyone,

I tried to use ADMM method for hybrid functional but I face this error. I 
actually modified an input from /tests/regtest-admm-1 but it does not work 
for my structure which contains Cu, In, and Se. I really do not know why 
this happens. Can someone please help me to fix this issue? Thank you so 
much. I have attached my input below.



 *** WARNING in qs_environment.F:665 :: Automatic Generation of AUX_FIT ***
 *** basis. This is experimental code.                                  ***


 *******************************************************************************
 *   _____                        
                                                                *
 *  /          \                                              
                                         *
 * [ABORT]                                                   
                                   *
 *  \_____/              Automatic basis set generation not activated   *
 *    |                                                                     
                            *
 *  O/|                                                       
                                        *
 * /| |                                                                    
                             *
 * / \                                                        
auto_basis.F:374              *
 *******************************************************************************




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