Dear abinit users,
I am running abinit6.4.1 and want to combine the Coulomb cut-off (icutcoul) with Berger's effective energy technique (gw_EET).
From the Hydrogen molecule test case I was running (see attached input file), I got the impression that this combination may not work since I saw no influence of the results (e.g. E^GW_gap) on the number of bands in the screening and sigma calculation. Of course there may also be something wrong with my input file ...
Thanks for your help,
Peter Puschnig
Combine Coulomb cut-off with effective energy technique
Moderators: maryam.azizi, bruneval
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PeterPuschnig
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- Joined: Tue Nov 02, 2010 11:20 am
Combine Coulomb cut-off with effective energy technique
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H2_gw_eet.in- (1.6 KiB) Downloaded 333 times