As far as I know there is no scheme like PDOS.kgridMonkhorstPack implemented for PDOS also (at least in Siesta-2.0.2)
Ruslan 2010/6/11 Marcos Veríssimo Alves <[email protected]> > In principle. it should be the same. As far as I know, no scheme such as > the PDOS.kgridMonkhorstPack is implemented for LDOS. although it shouldn't > be too difficult to do it. > > Marcos > > > On Fri, Jun 11, 2010 at 11:51 AM, Руслан Жачук <[email protected]> wrote: > >> Are they the same k-points as used for total energy calculation (SCF) ? >> I.e. k-points specified in kgrid_Monkhorst_Pack ? >> >> Ruslan >> >> >> >> >> >> >> >> 2010/6/11 Marcos Veríssimo Alves <[email protected]> >> >> Ruslan >>> >>> It can do both. If you have a calculation with k-points it sums over >>> them. Check local_DOS.F for details, but it's rather straightforward. >>> >>> Marcos >>> >>> On Thu, Jun 10, 2010 at 9:44 PM, Руслан Жачук <[email protected]> wrote: >>> >>>> Dear Siesta code developers, >>>> >>>> once I posted this question, but nobody answers. >>>> >>>> When calculating local density of states (LDOS) does Siesta count only >>>> eigenstates at Gamma k-point or sums the states all over the Brillouin >>>> zone??? >>>> >>>> I saw this question in mailing list, but also without answer. >>>> >>>> >>>> Kind regrards >>>> Ruslan Zhachuk >>>> >>> >>> >> >
