[CP2K-user] How to use Basis Set Data from two different Basis set files

Raghav raghavs... at gmail.com
Wed Apr 3 08:11:13 UTC 2019


Dear all,

I want to use Basis Set data from two different files *BASIS_MOLOPT* and 
*GTH_BASIS_SETS*. Will copying the content from BASIS_MOLOPT to 
GTH_BASIS_SETS and specifying *BASIS_SET_FILE_NAME* as *GTH_BASIS_SETS *work? 
Or this is not the right way to do it? 

Could anyone please clarify this?

Thanks and Regards,
Raghav



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