Pt-MgO
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Overview
Bulk Calculations
Overview
K-point convergence
ENCUT convergence testing
Convergence Criteria - EDIFF & EDIFFG
SIGMA and ISMEAR
Functional Benchmarking
Numerical Errors
References
Pt-MgO
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Bulk Calculations
»
Overview
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Overview
Calculations of the bulk MgO and Pt/MgO models will be considered here