[CP2K-user] Generate the GTH pseudopotential by ATOM

ningz... at gmail.com ningz... at gmail.com
Wed Dec 12 01:19:07 UTC 2018

  I need to generate the GTH pseudopotential and hope to use ATOM code in 
CP2K. But I find it is a little hard for me. The only thing I can do is 
just changing the initial guess of pseudopotential parameters. But there 
are so many parameters in GTH pseudopotential. The optimized 
pseudopotential changes slightly compared with initial guess. Can anyone 
tell me how to generate the GTH pseudopotential correctly by ATOM? I will 
be very appreciated!
  Best regards,
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