Phonon at Supercomputer part II

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  • Опубликовано: 7 фев 2025
  • Phonon calculations at Kathmandu University Supercomputer, part II.
    In this tutorial we discussed the use of DFPT as well as Phonopy code perform phonon band and dos calculations.
    Any suggestions or comments are highly appreciated.
    required modules are qe/6.2 or qe/6.5.

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