echo start n2 permanent_dir /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_dplot/perm scratch_dir /scratch geometry n 0 0 0.53879155 n 0 0 -0.53879155 symmetry c1 end basis n library cc-pvdz end tce ccsd nroots 1 densmat /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_dplot/n2.densmat end task tce energy dplot TITLE DENSITY LimitXYZ -3.0 3.0 10 -3.0 3.0 10 -3.0 3.0 10 spin total gaussian output /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_dplot/dens_eomccsd.cube densmat /home/d3p975/codes/nwchem-svn/nwchem/QA/tests/tce_dplot/n2.densmat end task dplot