[Wien] Elastic constant

[Peter Blaha]

Did you use a "non-cubic" setup ? In other words: You must introduce a c/a 
distortion, run init_lapw (which should result in less symmetry 
operations) and then perform the c/a variations.

> 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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                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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