NEGF calculations not starting |
- Date: 2020/09/11 01:16
- Name: Elie Moujaes
- Dear all,
I am trying to do some NEGF calculations ; however the code kind of freezes, without performing any SCF calculations (see below). Is that normal?
******************************************************* SCF calculation at MD = 1 *******************************************************
<MD= 1> Calculation of the overlap matrix <MD= 1> Calculation of the nonlocal matrix <MD= 1> Calculation of the VNA projector matrix
******************* MD= 1 SCF= 1 ******************* <TRAN_Set_Electrode_Grid>
Regards
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