[Wien] Elastic constant

yasir saeed yasir_saeed54321 at yahoo.com
Fri Jul 7 09:34:02 CEST 2006


dear wien user
  i m using wien code to find elastic constant of PtN in LDA and GGA of rock salt and zincblend phases.and try to compare with some VASP code result .i m using M.J.Mehl methode with tetragonal distortion of step size 0.1 but in VASP code they use step size of +_0.01.
  our result are very diff. from VASP code as we use small step size .but in our own step size results arealso diff. from VASP but comperable with some wien code  results.
  please ,can some body explain why?and what i chang to do?or is there any arror in our methods?
  best regards to all of you.
  yasir saeed
  University of the Punjab,Lahore,Pakistan

 		
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