[Pw_forum] Relaxation with Spin-Orbit Coupling
Julen Ibanez Azpiroz
julen.azpiroz at gmail.com
Sun Aug 1 11:13:43 CEST 2010
Hello
You were right, the thallium PP was not totally smooth, one of its channels
had a small kink, even though it gave the correct lattice parameter. We
fixed it and now it works, the energy in the relaxed position of the slab is
the minimum, thank you very much for your help
Julen
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