[Wien] what are the units of measurement of Kmax and Gmax in WIEN2k? (Artem Urubkov)

auru auru at imp.kiev.ua
Fri Sep 3 13:42:06 CEST 2004


 Thank a lot, Stefaan!
 I understood where I had been mistaken. I thought that
WIEN2k-parameters "Gmax" and "Kmax" should have the same units. I.e.
that the unit of "Kmax" is "unit vector of reciprocal lattice" too...
But after your letter it became obvious that the unit of "Kmax" is
"m-1" while the unit of "Gmax" is "unit vector of reciprocal lattice".

 But then another question arises. Are the number of harmonics in
expansions of potential and in expansion of pseudo-wave functions
comporable?




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