[Pw_forum] About maximally localized wannier function

[Silviu Zilberman]

Dear Xianghjun,

MLWF are implemented in the CP code. I believe that the latest cvs 
version has compatible restart files, which means you could use any 
PWSCF calculation result as an input to a CP Wannier calculation. This 
compatibility has only been introduced recently, and it may still be 
unstable. You could also take the geometry from your PW calculation and 
start a CP calculation from scratch and minimize the wavefunction using 
Wannier dynamics. Look at the INPUT_CP file for more details, as well as 
example #23.

Silviu.

xianghjun wrote:

> Dear all,
>  I am trying to get MLWF for some systems and want to know if MLWF has 
> been implemented in PWSCF.
> Thanks in advance.
>
> Best regards,
> xianghjun
>
> =============================================================
> H. J. Xiang
> Ph.D. Candidate,
> Hefei National Laboratory For Physical Sciences at Microscale,
> University of Science and Technology of China,
> Hefei, Anhui, 230026,
> People's Republic of China
> Tel.: 86-551-3606428
> Fax.: 86-551-3602969
> E-mail: xhongjun at mail.ustc.edu.cn
> =============================================================
>
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