[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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