[Wien] Stress
David Tompsett
dat36 at cam.ac.uk
Fri Jul 22 13:55:27 CEST 2011
Dear All,
Has anyone ever tried to implement the calculation of the stress tensor into
Wien? Is there something in the method that prevents its calculation?
I read the Nielsen PRB 32, 3780 (1985) where stress calculation is described
for local functionals. There are 5 contributions in equation 30 of that
paper. Is any in particular difficult for LAPW methods?
Many thanks,
David Tompsett.
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