[Wien] GMAX for H

John Appleton banger_deep at yahoo.com
Wed Oct 18 16:31:46 CEST 2006


Dear WIEN user,
  it is recommended in the user guide that for systems with H 
  gmax should be 15 to 24. I use gmax=24 lapw0 and lapw2 
  take a long time. I want to use 15 but I'm not sure. 
  First why large gmax for H? Second, how 
  to determine gmax so that you don't waste time.
   
  Thanks
   
  J. A.
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