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VacancyFormationMigration__TD_554849987965_000

Title
A single sentence description.
Vacancy formation and migration energies for cubic and hcp monoatomic crystals
Description Computes the monovacancy formation and migration energies for cubic and hcp monoatomic crystals.
Contributor jl2922
Maintainer karls
Author Junhao Li
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Jónsson H, Mills G, Jacobsen KW (1998) Nudged elastic band method for finding minimum energy paths of transitions. Classical and Quantum Dynamics in Condensed Phase Simulations, pp 385–404. doi:10.1142/9789812839664_0016

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TD_554849987965_000
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
VacancyFormationMigration__TD_554849987965_000
Citable Link https://openkim.org/cite/TD_554849987965_000
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version1.9.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
ase
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python

Tests using this Test Driver

VacancyFormationMigration_bcc_Ba__TE_595751513940_000
VacancyFormationMigration_bcc_Cr__TE_308041565541_000
VacancyFormationMigration_bcc_Cs__TE_786510643277_000
VacancyFormationMigration_bcc_Fe__TE_424131500075_000
VacancyFormationMigration_bcc_Fr__TE_477528717572_000
VacancyFormationMigration_bcc_K__TE_885611515463_000
VacancyFormationMigration_bcc_Li__TE_935257445423_000
VacancyFormationMigration_bcc_Mn__TE_003719897900_000
VacancyFormationMigration_bcc_Mo__TE_307021336684_000
VacancyFormationMigration_bcc_Na__TE_232855806262_000
VacancyFormationMigration_bcc_Nb__TE_143720853244_000
VacancyFormationMigration_bcc_Ra__TE_839149527934_000
VacancyFormationMigration_bcc_Rb__TE_786023654565_000
VacancyFormationMigration_bcc_V__TE_542565387610_000
VacancyFormationMigration_bcc_W__TE_485565507879_000
VacancyFormationMigration_diamond_Ge__TE_771748688857_000
VacancyFormationMigration_diamond_Si__TE_662280895854_000
VacancyFormationMigration_fcc_Ac__TE_771023870349_000
VacancyFormationMigration_fcc_Ag__TE_930419041081_000
VacancyFormationMigration_fcc_Al__TE_209799619356_000
VacancyFormationMigration_fcc_Au__TE_591056455495_000
VacancyFormationMigration_fcc_Ca__TE_306126767079_000
VacancyFormationMigration_fcc_Cu__TE_038488899376_000
VacancyFormationMigration_fcc_Es__TE_507588775324_000
VacancyFormationMigration_fcc_Ir__TE_062168017587_000
VacancyFormationMigration_fcc_Ni__TE_762881942024_000
VacancyFormationMigration_fcc_Pb__TE_603722864659_000
VacancyFormationMigration_fcc_Pd__TE_823106475257_000
VacancyFormationMigration_fcc_Pt__TE_143190656999_000
VacancyFormationMigration_fcc_Rh__TE_417011939549_000
VacancyFormationMigration_fcc_Sr__TE_277433897462_000
VacancyFormationMigration_fcc_Th__TE_763966070586_000
VacancyFormationMigration_fcc_Yb__TE_971605985045_000
VacancyFormationMigration_hcp_Be__TE_844372083395_000
VacancyFormationMigration_hcp_Cd__TE_434298741337_000
VacancyFormationMigration_hcp_Co__TE_612779063208_000
VacancyFormationMigration_hcp_He__TE_359521988045_000
VacancyFormationMigration_hcp_Hf__TE_101580974684_000
VacancyFormationMigration_hcp_Mg__TE_510743441348_000
VacancyFormationMigration_hcp_Os__TE_065364178287_000
VacancyFormationMigration_hcp_Re__TE_197485947906_000
VacancyFormationMigration_hcp_Ru__TE_531534514884_000
VacancyFormationMigration_hcp_Sc__TE_218689834096_000
VacancyFormationMigration_hcp_Tc__TE_665982642884_000
VacancyFormationMigration_hcp_Ti__TE_626277981382_000
VacancyFormationMigration_hcp_Tl__TE_340604883477_000
VacancyFormationMigration_hcp_Y__TE_228784635023_000
VacancyFormationMigration_hcp_Zn__TE_345855404704_000
VacancyFormationMigration_hcp_Zr__TE_178839066650_000
VacancyFormationMigration_sc_F__TE_932703233444_000
VacancyFormationMigration_sc_O__TE_006415178296_000
VacancyFormationMigration_sc_Po__TE_236636545843_000


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