[Wien] spin orbit coupling with in1new

[John Appleton]

Dear user,
    I posted this question earlier but 
  made a mistake (I quoted the 
     mixing parameter as 0.0 instead 
     of 0.05) so ignore the 
    previous posting. Basically 
   my problem is the following:
  
  I have observed that at the beginning 
  of a new geometry step  in mini, 
  the charge distance (grep :DIS *.scf) is 
  quite large. Eventually DIS is small 
  but it takes a long time for convergence. 
  I used a mixing factor of 0.05, PW scaling 
  of 0.1 and min -j 'runsp_lapw -i 120 -fc 1 -I' . 
  How do I fix the fluctuation? 
  Also how is the friction term ETA for 
  NEWT chosen?  I'm using NEWT 
  because it works way better than 
  PORT and it is easier to adjust 
  delta(i).
   
  Thanks

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