[Wannier] How to resolve the error: Cannot use bloch phases for disentanglement while using vasp.5.4.4 interfaced wannier90-2.1.0

[Robert Peyton Cline]

Hi Abid,

If you look in the manual (I'm looking in the 3.1 manual, but I'm sure it's
the same in 2.1), the "use_bloch_phases" tag cannot be used with
disentanglement.  You are asking for 22 wannier functions, but inputting 32
bands.  Therefore, disentanglement is required.  If you want to use the
"use_bloch_phases" tag, I recommend using "exclude_bands" during the
vasp2wannier step to remove unwanted bands (e.g. conduction bands) that you
do not expect to be important.

Best,
Peyton Cline, PhD
Postdoctoral Researcher
Eaves Group
Univ. of Colorado, Boulder


On Sat, Jan 23, 2021 at 12:43 AM Abid Rehman <rehmanustc at gmail.com> wrote:

> [image: wannier-win.PNG]
> [image: error.PNG]
> Dear Wannier90 users,
>  Presently, I am learning VASP and Wannier90 packhages.In this context,  I
> have successfully installed vasp5.4.4 and wannier90-2.1.0 on our system and
> also have interfaced with each other. It works successfully to generate the
> input files such as wannier90.win and wannier90.mmn etc. It also generates
> a wannier.amn file(i.e projection file) when *num_wann=num_band* (i.e
> when there is no disentanglement). But it gives an error to generate a
> wannier90.amn file when *num_wan < num_bands* (i.e in case of
> disentanglement ). The error is like this =>*Error: Cannot use bloch
> phases for disentanglement. *
> I don't know how to resolve this issue. I need your kind help in this
> regard. Your suggestions would be highly appreciated. The error and
> wanier90.win files images are attached.
> Thank You and looking forward for your nice response.
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> Wannier at lists.quantum-espresso.org
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