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CMP 2 ZMAT

CMP2ZMAT The transformation matrix connecting the computational ordered SO basis (columns of CMP2ZMAT) to the ZMAT ordered AO basis (rows of CMP2ZMAT). This matrix operates on the left. This matrix is in general not unitary and frequently not even square. The inverse transformation is given in the ZMAT2CMP record.

Data type: floating point. Dimension: NAO x NSO. Written by: xvmol2ja.

For variable definition see: Terms of reference.

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Page last modified on June 14, 2011, at 03:24 PM
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