Dear Pachineela,
Well, there is an on-line copy:
https://depositonce.tu-berlin.de/handle/11303/547
A short historical note on shifting the k point mesh, Monkhorst and Pack
published their initial algorithm to obtain the equidistant mesh, which
avoided the Gamma; then there was a Comment
Dear Sir,
thanks for the reply. Can I get a copy of your thesis?
thanks,
On Tue, Nov 14, 2017 at 1:23 AM, Ari P Seitsonen
wrote:
>
> 1) rm -rf ${VASP_DIR}
> 2) wget qe-6.2.tar.gz
> 3) Compile and compute
>
> ;)
>
> Well, my guess is that this is a cell - for example hexagonal - whe
1) rm -rf ${VASP_DIR}
2) wget qe-6.2.tar.gz
3) Compile and compute
;)
Well, my guess is that this is a cell - for example hexagonal - where
the k point grid better contain the Gamma point (or at least [0,0,k_z]
laterally), because otherwise the initial Monkhorst-Pack grid of k points
has
Wrong mailing list? :-
Best
Giuseppe
Quoting pachineela rambabu :
> Hi,
>I am trying to run the bandstructure of Bi2Se3 with VASP5.4.1 compiled
> with wannier90-1.2. In INCAR file I added "LWANNIER90=.TRUE.. However I am
> getting the following error:
>
>
>
> KPOINTS: Kpoints for band s
Hi,
I am trying to run the bandstructure of Bi2Se3 with VASP5.4.1 compiled
with wannier90-1.2. In INCAR file I added "LWANNIER90=.TRUE.. However I am
getting the following error:
KPOINTS: Kpoints for band structure
interpolating k-points between supplied coordinates
k-points in reciproca
