OCC_TOLERANCE¶
Minimum occupation (eigenvalues of the MP2 OPDM) below which virtual natural orbitals are discarded for in each of the above three truncations
Type: conv double
Default: 1.0e-6
Minimum occupation (eigenvalues of the MP2 OPDM) below which virtual natural orbitals are discarded for in each of the above three truncations
Type: conv double
Default: 1.0e-6