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--- potentials:bage [2020/09/27 12:01] – daniel
+++ potentials:bage [2020/09/28 17:14] (current) – daniel
@@ Line 13: / Line 13: @@
 =====  Details  =====
-This potential has been fitted for approximants of the decagonal quasicrystal Al-Mn-Pd.
+These potentials have been fitted for simulations of dynamic properties of
-It was especially trained with the $\xi$ and $\xi'$ phases, but also the ground states
+the Ge as well as the BaGe clathrate systems.
-of the single elements.
-This allows for very accurate calculations of the formation enthalpy of different phases.
+Their thermal conductivity has been calculated in http://dx.doi.org/10.1103/PhysRevB.89.214306.
-This potential has been used for structure optimization in
-http://dx.doi.org/10.1103/PhysRevB.89.214306.
 ===  Reference  ===
@@ Line 30: / Line 27: @@
 =====  Download  =====
-//potfit//: {{:potentials:bage:ge.potfit.pot}}
+//potfit//: {{:potentials:bage:ge.potfit.pot}} {{:potentials:bage:bage.potfit.pot}}
-IMD format: {{:potentials:bage:ge.imd.tar.xz}}
+IMD format: {{:potentials:bage:ge.imd.tar.xz}} {{:potentials:bage:bage.imd.tar.xz}}