Re: [Wien] shifteig in wien2wannier

2017-01-04 Thread Elias Assmann 
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 adapt the Fermi energy before w2w, you can do
so by editing case.fermi.


Elias





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[Wien] shifteig in wien2wannier

2017-01-02 Thread Koyel Bandopadhyay 
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] shifteig in wien2wannier

2017-01-02 Thread Koyel Bandopadhyay 
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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