[CP2K-user] mulliken charge print Possible matches for unknown subsection

[Young In Jhon]

Hello,

I'd like to print mulliken charges by using cp2k 7.1 and adding the 
following commands in the PRINT section. 

&MULLIKEN ON
    FILENAME ./mulliken.dat
     #PRINT_ALL
    &EACH
      MD 1
    &END EACH
  &END MULLIKEN

However, if I run the job, the following error appears.

 Possible matches for unknown subsection
 MULLIKEN
   subsection MULLIKEN in section %__ROOT__%FORCE_EVAL%DFT%PRINT score:  84
   enum MULLIKEN in section %__ROOT__%FORCE_EVAL%DFT for keyword 
PLUS_U_METHOD score:  74
   enum MULLIKEN in section %__ROOT__%FORCE_EVAL%DFT%PRINT%HIRSHFELD for 
keyword REFERENCE_CHARGE score:  74
   enum MULLIKEN_CHARGES in section %__ROOT__%FORCE_EVAL%DFT for keyword 
PLUS_U_METHOD score:  8
   subsection MULLIKEN_RESTRAINT in section %__ROOT__%FORCE_EVAL%DFT%QS 
score:  8

Would you let me know what's wrong with it and how I can solve it?


Thank you for your answers in advance.

Best regards,
  Young



                                                                *

 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201201/9ed7802c/attachment.htm>