large basis set and printing MO


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Jacek
1) you should be able to get your input running after adding the following line just before the first task line

set int:cando_txs f


2) There is no easy way to get all the eigenvectors printed.
You would need to edit the source code.
For the DFT case, you would need to edit
$NWCHEM_TOP/src/nwdft/scf_dft/dft_scf.F
and change the line

      parameter (eval_pr_tol_lo = -1.5d0, eval_pr_tol_hi=0.5)

to

      parameter (eval_pr_tol_lo = -1d10, eval_pr_tol_hi=1d10)