![]() % nprocshared = 4 % mem = 8 GB % chk = butadiene. Using with Gaussian: Use route card #P GFINPUT IOP(6/7=3) in the input to export a Molden file. molden files generated by Molcas can be read by IboView. ![]() This generated molden file can be read by IboView. Using with Orca: Use "orca_2mkl -molden" to generate a file called from the basename.gbw file. This can be used to visualize geometry optimization progress, for example. xyz files are required, use Tubomole's t2x program to export a. ![]() molden file can then be read with IboView. Using with Turbomole: Run your calculation as usual and export it via Turbomole's tm2molden program into. Orbital specifications can be given as usual on the card (e.g., for MCSCF natural orbitals or similar). This xml file can then be loaded with IboView. Memory, 200, m geometry = exports the last orbital set to the given xml file name.
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