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6.22. GUESSORB 213 6.22 GUESSORB 6.22.1 Description The GUESSORB program generates a start guess for orbitals. The file GSSORB is created containing these orbitals. They are also put to the runfile and their presence is automatically detected by the programs SCF and RASSCF if needed. 6.22.2 Dependencies The GUESSORB program requires that the one electron file ONEINT as well as the communication file RUNFILE exist. These are generated by the program SEWARD 6.22.3 Files Below is a list of the files that are used/created by the program GUESSORB. Input files GUESSORB will use the following input files: ONEINT, RUNFILE (for more information see 5.1.2). Output files File Contents GSSORB GUESSORB orbital output file. Contains a start guess for orbitals. RUNFILE Communication file for subsequent programs. MD GSS Molden input file for molecular orbital analysis. 6.22.4 Input Below follows a description of the input to GUESSORB. Keywords Keyword Meaning
