[Wannier] Dear all, I want to ask how to calculate some properties with wannier90 code?

[Arash Mostofi]

Dear Bing-Hong

The next release of Wannier90 (v.1.1) will include Gamma-point 
algorithms, transport, DoS, improved plotting, output of Hamiltonian in 
MLWF basis, and spinor MLWFs. We hope that it will be available within 
the next couple of weeks.

As regards spin-orbit coupling, you should look at

Yates JR, Wang XJ, Vanderbilt D, et al.
Spectral and Fermi surface properties from Wannier interpolation
PHYSICAL REVIEW B 75 (19): Art. No. 195121 MAY 2007

and references therein.

Cheers

Arash

:------------------------------------------------------------:
: Dr. Arash A. Mostofi           :: a.mostofi at imperial.ac.uk :
: Lecturer and RCUK Fellow       ::                          :
: Depts. of Materials & Physics  ::                          :
: Imperial College London        :: T  +44 (0)207 594 6753   :
: London SW7 2AZ, United Kingdom :: F  +44 (0)207 594 6757   :
:------- http://www.cmth.ph.ic.ac.uk/people/a.mostofi -------:

r95222066 at ntu.edu.tw wrote:
> Dear all,
>         I want to ask if I can calculate partial DOS , LDA+U ,magnetic moment,
> and spin-orbital coupling effect with wannier90 code? The paper "  
> Wannier90 a tool for obtaining Maximally localized wannier functions"  
> has suggested that I used relitivistic pseudopotential for spin-orbit  
> coupling effect.Is that be ok?
>        I have found the powerpoints of "Wannier90 A brief overview of  
> the code,Jonathan Yates,Cavendish Laboratory, Cambridge University"  
> from internet,and it has mentioned that wannier90 program will be  
> realease some new features about "Efficient Gamma-point  
> routines,Improved plotting,Transport,DOS plots,Spinor WF"." I am very  
> expect the new release vision of wannier90.
> 
> Thanks!
> 
> Bing-Hong Chen ,Taiwan university,Taiwan
> 
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