Manual:Troubleshooting
From OctopusWiki
If Octopus works properly on your system (i.e. you can recreate the results in the tutorial) but you have troubles using it for your own work, here are some things to try. Please feel free to add your own ideas here.
Read out.oct
If you look at the file status/out.oct it will tell you the value of the variables that you set with the inp file, as well as all the variables which are taking their default value. This can sometimes be helpful in understanding the behavior of the program.
Use OutputDuringSCF
If you add OutputDuringSCF = yes to your input file, you can examine the results of each iteration in the Self Consistent Field calculation. So if you also have the variable Output set to Output = density + potential, both the electron density and the Kohn-Sham, bare, exchange-correlation and Hartree potentials will be written to a folder (called, e.g., scf.0001) after each SCF iteration.
This variable is not documented in the Variable reference, but it is useful. I found it in status/out.oct and read about it at http://www.tddft.org/trac/octopus/changeset/528.
