alchemical potential for (GaN)x (ZnS)1-x

Total energy, geometry optimization, DFT+U, spin....

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nano
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Joined: Sun May 12, 2013 10:00 pm

alchemical potential for (GaN)x (ZnS)1-x

Post by nano » Tue May 14, 2013 3:45 pm

how can i simulate for exemple the (GaN)x (ZnS)1-x using abinit
is this possible with mixalch input :?:


thank you in advance.
FK
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