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potentials:bage [2020/09/27 11:49] danielpotentials:bage [2020/09/27 12:01] daniel
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 =====  Details  ===== =====  Details  =====
  
-This potential has been fitted for approximants of the decagonal quasicrystal Al-Mn-Pd. It was especially +This potential has been fitted for approximants of the decagonal quasicrystal Al-Mn-Pd.  
-trained with the $\xi$ and $\xi'$ phases, but also the ground states of the single elements. +It was especially trained with the $\xi$ and $\xi'$ phases, but also the ground states  
 +of the single elements. 
  
-This allows for very accurate calculations of the formation enthalpy of different phases. This potential has  +This allows for very accurate calculations of the formation enthalpy of different phases.  
-been used for structure optimization 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  === ===  Reference  ===
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 =====  Download  ===== =====  Download  =====
  
-//potfit//: {{:almnpd.potfit.pot}}+//potfit//: {{:potentials:bage:ge.potfit.pot}}
  
-IMD format: {{:almnpd.imd.tar.bz2}}+IMD format: {{:potentials:bage:ge.imd.tar.xz}}
  
-Other formats: http://www.ctcms.nist.gov/potentials/Al-Mn-Pd.html 
  
  
potentials/bage.txt · Last modified: 2020/09/28 17:14 by daniel