[Wien] Checking the effect of pressure on the bandstructure
amit ribak
amit.ribak at gmail.com
Thu May 7 09:01:15 CEST 2015
Hello,
I'm interested in checking the effect of pressure (uni-axial) on the band
structure. I first calculated the band structure with and without
spin-orbit interaction and was able to restore previous results.
Now, I want to see how the pressure affects the band structure. How can I
incorporate this into Wien2k?
The c over a optimization is the way to do it or I simply need to change
the lattice parameters of the initial structure?
Best regards,
Amit
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