That's why you should work with the latest versions :) Check version 3.0-x,
it has many interesting new features.
On Fri, Jun 11, 2010 at 4:14 PM, Руслан Жачук wrote:
> As far as I know there is no scheme like PDOS.kgridMonkhorstPack
> implemented for PDOS also (at least in Siesta-2.0.2)
>
>
> R
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
> In principle. it should be the same. As far as I know, no scheme such as
> the PDOS.kgridMonkhorstPack is implemented for LDOS. altho
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 wrote:
> Are they the same k-points as used for total energy calcu
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
> 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
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 wrote:
> Dear Siesta code developers,
>
> once I posted this question, but nobody answers.
>
>
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
