[QE-users] Relax approaches

pmoreira at ifi.unicamp.br pmoreira at ifi.unicamp.br
Fri Nov 9 12:42:39 CET 2018

  Dear all users,

  I am trying to relax a system, but it has been very trick. So, I  
have followed the approaches described at:


  I note some commands are not in input file description at:


  For example:

       ion_damping = 0.2,
       ion_dynamics = 'none'

   Which is website page out-dated?

   About my issue. My system has little atoms with forces components  
around 0.005 a.u when I relaxed using "damp" or "bfgs" dynamics. I  
would like no atom has forces greater than 0.002. Does anyone have a  
suggestion for get lower forces?

  With best regards,

  Pedro Moreira
  Assistant Professor
  UFSCar, Brazil

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