I did vc-relax calculations for silicon and at the end of the calculation i got
my final lattice parameter and atomic positions, but to my surprise when i
viewed my new structure with my new atomic positions, it does not look like a
face centered crystal structure but preparing the input file with the old
atomic position its look perfecting like the face centered crystal structure
with atom on all of the facesÂ
Does this mean that the new atomic positions should not be used for calculation
after vc-relax because the old atomic position looks better when viewed with
xcrysdenÂ
Agbaoye Ridwan OlamideFederal University of Agriculture, AbeokutaM.Sc. in view
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