[Wien] Job initialization

[John Appleton]

Dear Prof. Blaha, 
  When I'm preparing big jobs, I first initialize 
  with w2web up to "x kgen". Then I continue 
  the initialization and subsequent execution 
  by adding the following 5 lines to by pbs 
  job script:
   
  x dstart -c
  cp case.in0_std case.in0
  x dstart -c -up
  x dstart -c -dn
  runsp_lapw -i 100 -cc 0.0001 -p
   
  In some of my jobs, I forgot to inclue line 2, 
  i.e., "cp case.in0_std case.in0." Is that 
  going to affect my results? The jobs have 
  already converged. Should I now copy 
  case.in0_std to case.in0 and continue 
  from there?
   
  Thank you.
   



   
         

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