[Pw_forum] maximally localized wannier function and k points generated

[Wei Zhou]

Dear all
  I am a newe pwscf user , I want to calcalate the maximally localized
wannier function use pwscf together with Want,
I have two question .
  I want to user molececlar dynamics to simulate different strcure  at
temperature and pressure ,and calcualate
the maximally localized wannier function of the differet structure
and to see it's changs .my system is metal,
I wonder if I can use pwscf and Want to achieve this aims-simulating
different strcure and calculating  maximally localized
 wannier function .I know If my system is not metal ,then CP method is
encough ,but if I  use BODM molecular dynamics,then how
I can calculate the maximally localized wannier function,this is the
first question.

 Second question, I have searched  the pwsfc maillist    for calculating
maximally localized wannier function , the first step is scf calculation
,second is nscf calculation, then run want calculation ,I feel puzzle the k
points generation of three procedure ,are these is the same.all along the
standard symmetry lines ?
  Thanks in advance.
**Best regards,
ZhouDaWei



-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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