When doing a c/a variation, it is usually nonsense without additional
optimization of the internal positions (force minimization) (except for
the few cases like an hcp crystal, where there are no forces).
So repeat the whole !!! procedure, but switch on "-min" in the running
scripts for every
Dear Wien2k Users,
I finished lattice parameter optimization with 2Doptimize (set2D) script
for AFM case.
I gave me a nice parabola fit for MB Eqn.
At the end of ana2D_lapw I see below parameters
#
Vol-opt= 6477.2543 , coa-opt= 2.4690
a0= 13.7918 , c0=
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