| 11:51:26 AM PST - Mon, Feb 25th 2013 |
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1. There is no switch to print the orbitals to the output file, and even if it does it would not have the needed accuracy.
2. The localized molecular orbitals are written to the .movecs file, and the coefficients can be extracted from this file. These are regular MOs so yes they are expanded into AOs. Key is to make sure you have the same basis function (AO) ordering (for example make sure dxx,dxy,dxz..etc. ordering is the same) and normalization in both codes. We have a small code in contrib/mov2asc which will convert the binary .movecs to an ascii file you can use.
3. MOs are written in scf_movecs_write
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