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Quantum Espresso Draw Tools(QEDT) is Tools for Draw or Plot Band Structure, Phonon Dispersion, Raman Spectra, etc.

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QEDT

  • Quantum Espresso Draw Tools(QEDT) is Tools for Draw or Plot Band Structure, Phonon Dispersion, Raman Spectra, etc.

Directories

  • .bash_alias
    • some alias for convenince
    • all alias start with "."
    • read .bash_alias/README.md
    • usage:
# ignore .bash_alias_custom. it is just my environment.
vi [your QEDT path]/.bash_alias/.bash_alias_base
{ignore source .bash_alias_custom}
# open .bash file
vi ~/.bashrc
# wirte to .bashrc file
. [your QEDT path]/.bash_alias/.bash_alias_base
# save .bashrc file and refresh
~/.bashrc
  • bash_example: some example for using bash script
  • Draw: Draw/Plot with python
  • Module: Module for Using QE or Linux Terminal.
  • OS: Check OS State.
  • py_file: Check python State.
  • tmp: unfinished files. this directory exists for test.
  • Util: Util for Using QE or Linux Terminal.

Requirments

  • bash
    • Some Bash Script may require bash4.
  • python
    • matplotlib
    • numpy

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Quantum Espresso Draw Tools(QEDT) is Tools for Draw or Plot Band Structure, Phonon Dispersion, Raman Spectra, etc.

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