[Pw_forum] STM simulation

Cao TF tfcao at theory.issp.ac.cn
Sun Aug 26 09:48:33 CEST 2012


Dear QE users
   It is seems that we can only get the STM image of rectangular cell with the calculation of pp.x.  So is it possible to get the STM image of hexagonal cell ?  Thank you in advance. 
    
  * ELSE IF iflag = 3 :

      THE FOLLOWING VARIABLES ARE OPTIONAL:

      +--------------------------------------------------------------------
      Variables:      e1(i), e2(i), e3(i), i=1,3

      Type:           REAL
      Description:    3D vectors which determine the plotting parallelepiped
                      (if present, must be orthogonal)

                      e1, e2, and e3 are in alat units !


Reserach laboratory for Computational Material Science. Institute of Solid State Physics, CAS 

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