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Sample VASP input file used to study LaCoO3 (INCAR) Band structures of LaCoO3 at each values of strain (used to determine carrier effective mass) Wannier functions derived from e_g orbitals of LaCoO3 (used to determine splitting between dx2-y2 and dz2 orbitals)
|Date made available||Jan 5 2020|
|Publisher||Data Repository for the University of Minnesota|
|Date of data production||Oct 1 2017 - Sep 15 2019|
Paul, A., Grutter, A., Kirby, B., Jeong, J. S., Zhou, H., Zhang, Z., Yu, B., Greven, M., Mkhoyan, K. A., Birol, T. & Leighton, C., Mar 2020, In : Physical Review Materials. 4, 3, 034403.
Research output: Contribution to journal › Article › peer-review