Manual:INTEGRALS:READIN
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*READIN -- Reading basis set file
This subsection allows changes of defaults in the reading of the basis file.
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Advanced options |
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.UNCONTRACT
Decontract basis sets specified as contracted (when being read from the library, for example). In the case of using non-relativistically contracted basis set the decontraction is necessary for heavy elements. Two-component quasirelativistic Hamiltonians (like IOTC) work only with decontracted basis set.
Default: Decontract only the small component.
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Programmers options |
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Print level in the reading of the basis file.
Default: Print level from **INTEGRALS.
.MAXPRI
Maximum number of primitive functions in a given block in basis file.
Default:
.MAXPRI 22
