manual   quickstart   instguide   update   basis

Next: 18.2 Saving the localized Up: 18 ORBITAL LOCALIZATION Previous: 18 ORBITAL LOCALIZATION   Contents   Index   PDF

18.1 Defining the input orbitals (ORBITAL)

ORBITAL,record.file,specifications

The orbitals to be localized are read from dump record record.file. A state specific orbital set can be selected using specifications, as explained in section 4.11. Default are the orbitals calculated last.



molpro@molpro.net 2017-12-15