{"description" "Effective Medium Theory (EMT) model driver based on the EMT implementation in\nASAP (https://wiki.fysik.dtu.dk/asap).\n\nEffective Medium Theory is a many-body potential of the same class as Embedded\nAtom Method, Finnis-Sinclair etc.  The main term in the energy per atom is the\nlocal density of atoms.\n\nThe functional form implemented here is that of Ref. 1.  The principles behind\nEMT are described in Refs. 2 and 3 (with 2 being the more detailed and 3 being\nthe most pedagogical).  Be aware that the functional form and even some of the\nprinciples have changed since refs 2 and 3.  EMT can be considered the last\nstep of a series of approximations starting with Density Functional Theory,\nsee Ref 4.\n\n\nREFERENCES:\n\n[1] Jacobsen, K. W., Stoltze, P., & Nørskov, J.: \"A semi-empirical effective\nmedium theory for metals and alloys\". Surf. Sci. 366, 394–402  (1996).\n\n[2] Jacobsen, K. W., Nørskov, J., & Puska, M.: \"Interatomic interactions in\nthe effective-medium theory\". Phys. Rev. B 35, 7423–7442 (1987).\n\n[3] Jacobsen, K. W.: \"Bonding in Metallic Systems: An Effective-Medium\nApproach\".  Comments Cond. Mat. Phys. 14, 129-161 (1988).\n\n[4] Chetty, N., Stokbro, K., Jacobsen, K. W., & Nørskov, J.: \"Ab initio\npotential for solids\". Phys. Rev. B 46, 3798–3809 (1992).\n\n\nKNOWN ISSUES / BUGS:\n\n* This implementation does not support ghost atoms,\n  i.e. NumberOfContributingParticles must be equal to NumberOfParticles.  If\n  this is not the case, the ghost atoms are not handled the way OpenKIM\n  expects.  This limitation should be stated in the .kim file (is that possible?) or a test\n  should be inserted in the code catching it.  In the long run, this should be\n  fixed in Asap.  For more info, see\n  https://trac.fysik.dtu.dk/projects/Asap/ticket/48\n\n* On-the-fly modifications of the parameters is not supported.  It should be\n  implemented.\n\n* More testing is needed.\n\nAll URLs refer to the TRAC bug handling system of ASAP.  You can check there\nif the issues have been addressed."
 "disclaimer" "This implementation does not support ghost atoms,\ni.e. NumberOfContributingParticles must be equal to NumberOfParticles.  If\nthis is not the case, the ghost atoms are not handled the way OpenKIM\nexpects.  This limitation should be stated in the .kim file (is that possible?).\nIn the long run, this should be fixed in Asap.  For more info, see\nhttps://trac.fysik.dtu.dk/projects/Asap/ticket/48"
 "domain" "openkim.org"
 "kim-api-version" "1.6"
 "extended-id" "EMT_Asap__MD_128315414717_001"
 "source-citations" "Jacobsen, K. W., Stoltze, P., & Nørskov, J.: \"A semi-empirical effective\nmedium theory for metals and alloys\". Surf. Sci. 366, 394–402  (1996)."
 "title" "Effective Medium Theory as implemented in the ASE/Asap code."
 "creator" "Jakob Schiøtz"
 "contributor-id" "cd17c370-4feb-4b65-8830-079f1ed1c17f"
 "maintainer-id" "cd17c370-4feb-4b65-8830-079f1ed1c17f"
 "publication-year" "2014"}