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cond-mat.mtrl-sci2020★ 168 cited
MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties of Bulk and 2D Materials
Sobhit Singh, Logan Lang, Viviana Dovale-Farelo +4
The MechElastic Python package evaluates the mechanical and elastic properties of bulk and 2D materials using the elastic coefficient matrix () obtained from any ab-initio…
cond-mat.str-el2020★ 39 cited
DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
Vijay Singh, Uthpala Herath, Benny Wah +3
Dynamical Mean Field Theory (DMFT) is a successful method to compute the electronic structure of strongly correlated materials, especially when it is combined with density function…