Dear KM,
Wannier90 should do the job for you as suggested. If you have time you can
use localized basis set based DFT codes like SIESTA for this kind of figure
more easily.
Thanks.
On Fri, Jan 20, 2017 at 8:09 AM, Nicola Marzari
wrote:
>
>
> Dear KM,
>
> not sure about
Dear KM,
not sure about the status re atomic orbitals - using QE+Wannier90
you can do this on Wannier functions, using bands_plot_project
(see http://www.wannier.org/doc/user_guide.pdf sec. 2.9.11).
nicola
On 20/01/2017 15:00, K.M. Mohsin wrote:
> Hello everyone,
>
>
Hello everyone,
I am wondering is there any program or utility in QE package to calculate
and plot band structure projected on atomic orbitals. In VASP they call it
"Orbital projected band structure".
I have seen this question asked earlier but to the best of my knowledge,
previous answers were
Dear Artur,
I've solved my problem by changing the negative frequency value to a small
positive number in the file /elph_dir/elph.inp_lambda.1 (I got negative
frequency at the first q - point).
Best regards,
Subhodip
--
*Subhodip Chatterjee*
*Senior Research Fellow*
*Department of
I have not tested on the QE Version 6.0, I am currently using QE 5.4.0
Regards,
Ghadiyali Mohammed Kader
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