[Pw_forum] About maximally localized wannier function

[xianghjun]

Dear Prof. Marzari,
   Thank you very much for your valuable reply.
I will use the excellent wannier and PWSCF codes to calculate the MLWF.

Nicola Marzari wrote:

>
>
> Dear Xinaghjun,
>
>
> the version that Ivo Souza and myself have been using and
> developing is at www.wannier.org . I've uploaded there the
> latest files (wannier_0.9b) that contain the graphics output
> for Xcrysden (courtesy of Michel Posternak) and the interface
> with PWscf and the new makefiles (both courtesy of Jonathan Yates).
>
> Arrigo Calzolari has in www.wannier-transport.org a transport/wannier
> code interfaced with pwscf, where the wannier part is similar to the 
> above.
>
> Note that also, inside quantum-Espresso, the Car-Parrinello, 
> Gamma-sampling code CP has its own Wannier subroutines available.
>
> Best,
>
>             nicola
>
>
> 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
>> =============================================================
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
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>
>


-- 
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
=============================================================