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Ab initio Calculations Using Wien2k Code

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Summarization about phonon calculations

 A- Introduction:

 Light is an electromagnetic wave and Sound is an elastic wave. According to the wave-particle duality principle, light is composed of particles called photons and sound is composed of particles called phonons.

References:

https://en.wikipedia.org/wiki/Phonon
http://www-personal.umich.edu/~sunkai/teaching/Winter_2013/chapter5.pdf
https://itp.tu-graz.ac.at/LV/ewald/TFKP/literatur_Phononen/Ackland_97.pdf
http://wolf.ifj.edu.pl/workshop/work2007/

 B- Softwares:

To calculate the phonon properties, there are 3 packages interfaced to the wien2k code which are:

1- PHONON package which is not free

http://wien2k-algerien1970.blogspot.com/2017/01/guide-about-phonon-calculations.html

2- PHONOPY package

http://wien2k-algerien1970.blogspot.com/2017/01/calculating-phonon-properties-using.html

3- PHON package

http://wien2k-algerien1970.blogspot.com/2017/01/phona-program-to-calculate-phonons.html

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