Trying to understand output from tgw1_1.in

GW, Bethe-Salpeter …

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sidiq
Posts: 11
Joined: Tue Jul 24, 2012 11:04 am

Trying to understand output from tgw1_1.in

Post by sidiq » Thu Dec 27, 2012 12:30 pm

Hi,

I was wondering if someone can teach me why ABINIT obtained 9 columns and 4 rows of values in the output below. I would also be grateful if you can teach me how ABINIT obtained those values. I know it's got something to do with the oscillator matrix elements and possibly the eigenvaalues from the KSS file but I'm not too sure. Thanks.

chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 -17.293 0.571 -2.767 -2.193 -2.722 -2.411 -2.428 -2.680 -1.558
-0.000 0.570 -2.767 -2.192 -2.721 2.411 2.428 2.680 1.558

2 0.571 -17.293 -0.011 1.456 -0.421 0.000 -0.000 -0.000 0.000
-0.570 0.000 0.000 0.000 0.000 -2.838 -0.306 -0.235 -1.030

chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 -3.866 0.343 -0.717 -0.633 -0.755 -0.767 -0.473 -0.637 -0.165
0.000 0.343 -0.717 -0.633 -0.755 0.767 0.473 0.637 0.165

2 0.343 -3.866 -0.016 0.017 -0.013 0.000 -0.000 -0.000 0.000
-0.343 0.000 0.000 0.000 0.000 -0.658 -0.079 -0.123 -0.075

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