[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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