Step 1: Install the DFT program; learn how to do scf calculations with
unit cells, then supercells (with WIEN2k) [1].
- Phonon calculations use primitive cells [2].
Step 2: Research available phonon software (for WIEN2k) and decide which
one you will use.
- For
Sir with due respect, i am a new commer in the feild of computational
methods, but sir i need a procedure of steps to calculate phonon. If you
can provide me or give me any lead i will be very thankful to you and it
will be your most kindness. (PLEASE SIR I NEED THE PROCEDURE PLZ)
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