Dear Users, I've been using pp.x to obtain ILDOS/PDOS/PSI^2 information, and I'm a little surprised by how long it takes for the processing to finish. I've used a variety of the pp.x features, and although each pp.x takes only a couple minutes to finish, when running many of them to obtain specialty information I find myself waiting days. The processing gets stuck between the outputs:
" negative rho (up, down): 1.581E-03 0.000E+00" and " negative rho (up, down): 1.581E-03 0.000E+00". I'm sorry if this isn't enough information to solve this issue, but I'm hoping this is a simple fix for something I'm overlooking. Thank you for your help, Hank Seeley PhD student, chemistry University of Oregon _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
