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Fock Matrix
Date: 2013/09/17 04:50
Name: Ruibin Liu

Dear all,

How can I get the final Fock Matrix from a single point energy calculation? And can we get it from linear scaling methods?

Best,
Ruibin
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Re: Fock Matrix ( No.1 )
Date: 2013/09/17 22:32
Name: T. Ozaki

Hi,

OpenMX generates the matrix for the KS Hamiltonian instead of the Fock matrix.
The final KS matrix can be obtained via the procedure described at
http://www.openmx-square.org/openmx_man3.7/node139.html

The Fock matrix is not available in the OpenMX Ver. 3.7.

Regards,

TO
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