Bad header for columns in OUTCAR for GW0
Posted: Wed Aug 01, 2012 4:36 am
When I run GW0 (5.2.12) with LSELFENERGY = . TRUE., at the end of OUTCAR I see the following
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
-50.0000000 -31.6820042 31.6668530
-49.5000000 -30.1105818 31.9501657
-49.0000000 -28.5770463 32.1229192
-48.5000000 -26.9885399 32.2580519
etc.
This goes on for about 20 pages.
The header is obviously wrong. What is this info? Where can I find the self energy vs w?
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
-50.0000000 -31.6820042 31.6668530
-49.5000000 -30.1105818 31.9501657
-49.0000000 -28.5770463 32.1229192
-48.5000000 -26.9885399 32.2580519
etc.
This goes on for about 20 pages.
The header is obviously wrong. What is this info? Where can I find the self energy vs w?