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The input files of calculations in "Photo-induced ultrafast electron dynamics in anatase and rutile TiO2: Effects of the electron-phonon interaction".

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Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
Anatase		Anatase
Pseudo		Pseudo
Rutile		Rutile
.gitattributes		.gitattributes
README.md		README.md

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CJCP-2022

Pseudo

The norm-conserving potentials pseudo files.

Anatase

The input files to compute:

electronic ground state;
phonon structures;
Wannier interpolation;
electron-phonon interactions;
electron-phonon scattering rate and electron relaxation time;
ultrafast electron relaxation dynamics.

Rutile

The input files for calculations of the same properties as the ones in Anatase TiO₂.

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The input files of calculations in "Photo-induced ultrafast electron dynamics in anatase and rutile TiO2: Effects of the electron-phonon interaction".

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