[QE-users] normal modes for phonon calculation
naval singh
navalsingh133 at yahoo.com
Wed Dec 21 14:39:20 CET 2022
dear all,i am a novice in dft simulation and started using quantum espresso for about 3 months, i am stuck with the problem of phonon calculation . i need to calculate zero point energy for adsorbed species but the thing is the literature states to perform normal mode calculation and qe has two kind phono calculation gamma and q point based so i dont get the idea what is normal mode
please do help
Thanks in advance
Naval kishor
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