Transfer of molecular orbitals between different computers

In order to be able to transfer molecular orbital coefficients between different computer systems, an option is provided for formatted punching and formatted reading of the molecular orbital coefficients. The options are

.PUNCHOUTPUTORBITALS or

.PUNCHINPUTORBITALS

in input group *ORBITAL INPUT. The first option is used to punch the orbitals at the end of the optimization, while the second option is used to punch some molecular orbitals already available on the SIRIUS.RST file, for instance the converged orbitals from a previous calculation. The orbitals can then be transferred to another computer and appended to the SIRIUS input there. The orbitals may then be read by DALTON using the .MOSTART followed by .FORM18 option on the next line (with this option DALTON will, after having finished the **WAVE FUNCTIONS input module, search the input file for either the **MOLORB keyword or the **NATORB keyword and expect the orbital coefficients to follow immediately afterwards).