Hi Please refer to sections Basis and DFT, Grid, SCF http://www.icmab.es/siesta/manuales/manual-2.0.2/node18.html#2867 http://www.icmab.es/siesta/manuales/manual-2.0.2/node16.html#2820
Regards 2010/3/8 Marcos Veríssimo Alves <[email protected]>: > To get the idea of the EnergyShift, try reading one of the appendixes > of the first chapter of Cohen-Tannoudji's book "Quantum Mechanics". I > think it's the third appendix of the first chapter. For the meaning of > MeshCutoff, it could be present (although not explicitly) in Richard > Martin's book "Electronic Structure". Are you sure these things aren't > explained either in the siesta manual or in the papers on siesta? > > Marcos > > On Mon, Mar 8, 2010 at 2:26 PM, Guangping Zhang <[email protected]> wrote: >> Hi, >> Can anyone explain me PAO.EnergyShift and MeshCutoff in detail? I have >> turned to many stuffs.But now I yet can not understand it clearly! >> >> THANKS IN ADVANCE ! > -- Lucas Fernández Seivane Ph. D. Candidate Universidad de Oviedo - CINN
