[Wien] Difference between runsp_lapw runsp_c_lapw

John Appleton banger_deep at yahoo.com
Tue Mar 14 00:52:16 CET 2006


Dear WIEN users,
   
  Complex calculations are performed for systems without inversion symmetry. 
   
  QUESTION: I have a system without inversion symmetry (with input files case.in1c, case.in2c, etc.)  and I want to perform a spin polarized calculation using charge 
  convergence. 
   
  Do I use 
   
  runsp_lapw -i 20 -cc 0.00001
   
  OR
   
  runsp_c_lapw -i 20 -cc 0.00001 ?
   
  I am asking because the user guide does not explicitly state the difference 
  between runsp_lapw and runsp_c_lapw.
   
  Thank you.
   
  J. Appleton
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