MOLTRA:Sample inputsΒΆ
Use all spinors with energies between -12.0 and 20.0 a.u. as active space. Note that one may not place a comment line directly after .ACTIVE:
**MOLTRA
.ACTIVE
energy -12.0 20.0 1.0
Use all spinors with energies between -12.0 and 20.0 a.u. as active space. Note that one may not place a comment line directly after .ACTIVE:
**MOLTRA
.ACTIVE
energy -12.0 20.0 1.0