G0W0- error
Posted: Tue Feb 02, 2010 3:00 am
hi all,
When I tried to do G0W0 calculation for the system DyN, I got the following error:
internal error in SET_CORE_WF: core electrons incorrect
57.00000000000000 62.00000000000000
But I could successfully do it for the same system with the same pseudopotential for GGA and LDA+U calculations.
Any help will be appreciated.
thanks
raja.
When I tried to do G0W0 calculation for the system DyN, I got the following error:
internal error in SET_CORE_WF: core electrons incorrect
57.00000000000000 62.00000000000000
But I could successfully do it for the same system with the same pseudopotential for GGA and LDA+U calculations.
Any help will be appreciated.
thanks
raja.