[Pw_forum] pp.x getting stuck, taking long time

Henry J Seeley hseeley at uoregon.edu
Sun Oct 25 01:59:56 CEST 2015


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



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