manual   quickstart   instguide   update   basis

Next: 65.10 Diagonalizing a matrix Up: 65 MATRIX OPERATIONS Previous: 65.8 Transforming operators (TRAN)   Contents   Index   PDF

65.9 Transforming density matrices into the MO basis (DMO)

DMO,result, D, C

calculates result = C(T)*S*D*S*C. The strings result, C, and D are internal names.



molpro@molpro.net 2018-01-20