Command CalcInt

Comand format

CalcInt OrbTypeL OrbUseL OrbTypeR OrbUseR

This command computes the overlap integral between two functions or sets of functions. OrbTypeL OrbUseL define the functions on the left side of the matrix element and OrbTypeR OrbUseR define the functions on the right. OrbTypeL and OrbTypeR are character strings and OrbUseL and OrbUseR are integers. If the command FileName has been used to define the MatrixElements file, then the computed matrix elements are also written to that file.

Data records used

Optional data records used

Examples of use