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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 *******************

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