Top Page > Browsing
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 *******************

Page: [1]

Thread Title (must) Move the thread to the top
Your Name (must)
E-Mail (must)
Password (used in modification of the submitted text)
Comment (must)

   Save Cookie