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--- potentials:bage [2020/09/27 11:49] – 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. It was especially
+These potentials have been fitted for simulations of dynamic properties of
-trained with the $\xi$ and $\xi'$ phases, but also the ground states of the single elements.
+the Ge as well as the BaGe clathrate systems.
-This allows for very accurate calculations of the formation enthalpy of different phases. This potential has
+Their thermal conductivity has been calculated in http://dx.doi.org/10.1103/PhysRevB.89.214306.
-been used for structure optimization in http://dx.doi.org/10.1103/PhysRevB.89.214306.
 ===  Reference  ===
@@ Line 28: / Line 27: @@
 =====  Download  =====
-//potfit//: {{:almnpd.potfit.pot}}
+//potfit//: {{:potentials:bage:ge.potfit.pot}} {{:potentials:bage:bage.potfit.pot}}
-IMD format: {{:almnpd.imd.tar.bz2}}
-Other formats: http://www.ctcms.nist.gov/potentials/Al-Mn-Pd.html
+IMD format: {{:potentials:bage:ge.imd.tar.xz}} {{:potentials:bage:bage.imd.tar.xz}}