Chengcheng Xiao

icon indicating a website link https://chengcheng-xiao.github.io/ icon indicating an email [email protected]

icon company Imperial College London icon location London, United Kingdom icon location Postdoctoral researcher @ Imperial College London. Predicting how electrons move since 2016. Currently working on ONETEP.

Results 5 repositories owned by Chengcheng Xiao

VASP2WAN90_v2_fix

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An updated version of the VASP2WANNIER90v2 interface

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mpiPyMC

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A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.

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Periodic_NBO

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Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry

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VASP_OPT_AXIS

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Fix lattice component(s) during relaxation in VASP

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Tools

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DFT post processing tools

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