[Pw_forum] Maybe a mistake in the document for the cp.x with wannier function

[Yi Yao]

Hi all,

When I do the calculation with cp.x with wannier function dynamic, I found a mistake in the input file description. For the wfsd parameter.
It seems a switch should be make for wfsd 1 and 2. 

In the document

wfsd	INTEGER
Default:	 1
Localization algorithm for Wannier function calculation:
wfsd=1  Steepest-Descent / Conjugate-Gradient
wfsd=2  Damped Dynamics
wfsd=3  Jocobi Rotation

While in the code wf.f

        IF(.NOT.what1) THEN
           IF(wfsd==1) THEN
              CALL ddyn_u(nbsp,O,Uall) ! Lingzhu Kong
           ELSE IF(wfsd==2) THEN
              CALL wfsteep(nbsp,O,Uall,b1,b2,b3)
           ELSE IF(wfsd==3) THEN
              CALL jacobi_rotation(nbsp,O,Uall,b1,b2,b3)
           END IF

I hope the others won't be confused by the setting of wfsd any more and suggest to make a change in the document.

Wishes,
Yi 
-----
Graduate Student, Chemistry Department
University of North Carolina, Chapel Hill
Email: yiy at live.unc.edu