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calculate_e-ph_coupling [2014/09/12 15:58]
jelen
calculate_e-ph_coupling [2014/09/12 15:58] (current)
jelen
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**Calcualtion of e-ph coupling** **Calcualtion of e-ph coupling**
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Here we describe how to calculate the vibrational modes of molecules using dynamical matrix. Note, the calculation of the e-ph coupling is meant only for non periodic systems or with only Gamma k-point. Here we describe how to calculate the vibrational modes of molecules using dynamical matrix. Note, the calculation of the e-ph coupling is meant only for non periodic systems or with only Gamma k-point.
   
 
calculate_e-ph_coupling.txt · Last modified: 2014/09/12 15:58 by jelen
 
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