Combine Coulomb cut-off with effective energy technique
Posted: Tue Nov 02, 2010 11:47 am
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
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