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Re: [abinit-forum] Re: GW approximation in Abinit


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  • From: "D. R. Hamann" <drhamann@mat-simresearch.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Re: GW approximation in Abinit
  • Date: Fri, 31 Aug 2007 16:10:03 -0400

Hi Andrey,

See tests/v4/Input/t88.in and tests/tutorial/Input/tgw2_3.in (in 5.3.4, probably earlier as well). Note that all the GW k-points must also be in the ground-state set.

Don Hamann

Semichaevsky, Andrey wrote:

Hi all,

In my calculations, I need to specify a large number of k-points for use in GW approximation
through the variable kptgw - can anyone send me an example of a successful implementation of
a kptgw array (with more than one element), I was only successful in calculating GW one
point at a time, setting up an array of k-points for GW resulted in an error.

Thanks.

Sincerely,

Andrey Semichaevsky, DEng.,
Postdoctoral Research Associate
Department of Electrical and
Computer Engineering,
UMass Lowell,
1 University Av., Lowell MA 01854
tel: (978) 9342998
fax: (978) 9343098


--
D. R. Hamann
Mat-Sim Research LLC | Deptartment of Physics
P.O. Box 742 | and Astronomy
Murray Hill, NJ 07974 | Rutgers University
phone: 908-370-8079 | 732-445-4381

email: drhamann@mat-simresearch.com





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