[QE-users] Fwd: Wrong projection of wannier functions.

[Poonam Kaushik]

Dear Experts,
It is just a reminder of my previous post. I just want to know is I am
asking something wrong or this is an issue that is not solvable?.

Thanks and regards,
Poonam Sharma




-------------------------------------------------------------------------------------------------
Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.



---------- Forwarded message ---------
From: Poonam Kaushik <poonamkaushik40 at gmail.com>
Date: Thu, Sep 3, 2020 at 7:09 PM
Subject: Wrong projection of wannier functions.
To: <users at lists.quantum-espresso.org>


Dear QE  Experts,
I am doing a spin polarised calculations. I have 3 types of atoms in my
system in which two I am taking as s spin polarised. During Wannier_ham.x
calculations, I am getting the wrong projection of the Wannier function for
one type of atom that is spin unpolarised. This thing is happening in the
spin1 case only, while in spin2 everything is fine as i defined in my input
file.
Please help me to understand why this is happening.

Warm regards,
Poonam Sharma





-------------------------------------------------------------------------------------------------
Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.
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