On 01/03/2017 04:35 AM, Koyel Bandopadhyay wrote:
> When do we need to do shifteig?
> Is it done before/after w2w step?
Normally (when you have a correct Fermi energy), you do not need it at all.
If you need to use it, it is between w2w and wannier90, since it acts on
case.eig. If you want to ad
Dear all,
I am doing a wien2wannier calculation; I have a small query regarding this.
When do we need to do shifteig?
Is it done before/after w2w step?
Please respond.
Thanks in advance.
regards,
Koyel
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Wien@zeus.theochem.tuwien.ac.a
Dear all,
I am doing a wien2wannier calculation; I have a small query regarding this.
When do we need to do shifteig?
Is it done before/after w2w step?
Please respond.
Thanks in advance.
regards,
Koyel
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.a
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