Back to the main page of this manual | Input reference of CP2K version 2.4.0 (Revision 12993) |
REFERNCE_SET INTEGER | |
Specifies the reference basis ID which is used as template to create the new set. The original basis has ID 0. All follwing sets are counted in order as specified in the Input. The decriptors always assume the structure of the input basis set. | |
This optional keyword cannot be repeated and it expects precisely one integer. | |
Default value: 0 |
REMOVE_CONTRACTION SET L ICONTRACTION | |
Can be used to remove a contraction from the reference basis set. The contraction is speciefied by set number, angular momentum and number of contraction. The decriptors always assume the structure of the input basis set. | |
This optional keyword can be repeated and it expects precisely 3 integers. |
REMOVE_SET SET | |
Can be used to remove a set from the reference basis set. | |
This optional keyword can be repeated and it expects precisely one integer. |
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