[Wannier] too many projection

[Christoph Wolf]

Dear Vineet,

assuming that you have no entangled bands (i.e. the bands with Pb:s, Pb:p
... character are well separated from other bands) you have to match number
of bands and number of wannier functions with the number of projections
defined.

in PbI2 you would have, for example 3 Pb:p and 2 times 3 (=6) I:p
projections which alone give 9 projections. Summing them all up has to
match your selected bands. You should show the respective parts of your
input in order to find out whats wrong!

Of course using random projections help because w90 then just puts the
defined number of wannier orbitals.

Best,
Chris

On Wed, Jan 24, 2018 at 3:14 PM, VineetKumar Pandey <
vineetkumar.pandey at students.iiserpune.ac.in> wrote:

> Dear Wannier experts,
> I am doing band structure calculation by including SOC for PbI2
> when I define projection Pb :p and I: p, I am getting no error,
> but when I define projection Pb:s , Pb:p and I:s and I :p. My calculation
> gives me error
> "param_get_projection: too many projections defined ".
> I went on the forum and I found, setting projection random will help me
> but I want to do it by including these projections. Please help me to
> understand this error
> Thanking you in advance
> Best Wishes
> Vineet Kumar Pandey
> IISER PUNE, INDIA
> PINCODE-411008
>
> Phone: +91 8853094275
>
>
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-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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