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tutorials:temperature [2016/04/24 13:09] – ↷ Page moved from howto:temperature to tutorials:temperature Yann Pouillontutorials:temperature [2016/04/24 13:09] (current) – ↷ Links adapted because of a move operation Yann Pouillon
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 This should give you the following bandstructure: This should give you the following bandstructure:
  
-{{ :howto:bs_ep_ecut5.jpg |}}+{{ tutorials:bs_ep_ecut5.jpg |}}
  
 where the solid black lines are the traditional electronic bandstructure, the dased lines are the electronic eigenenergies with electron-phonon renormalization at a defined temperature (here 0K). Finally the area around the dashed line is the lifetime of the electronic eigenstates. where the solid black lines are the traditional electronic bandstructure, the dased lines are the electronic eigenenergies with electron-phonon renormalization at a defined temperature (here 0K). Finally the area around the dashed line is the lifetime of the electronic eigenstates.
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 Using the relatively dense $\mathbf{q}$-grid of 43x43x43 we can obtain the following converged bandstructure: Using the relatively dense $\mathbf{q}$-grid of 43x43x43 we can obtain the following converged bandstructure:
  
-{{ :howto:2024q-1900k.jpg |}}+{{ tutorials:2024q-1900k.jpg |}}
  
 Here we show the renormalization at a very high temperature of 1900K in order to highlight more the broadening and renormalization that occurs. If you want accurate values of the ZPR at 0K you can look at the table above.   Here we show the renormalization at a very high temperature of 1900K in order to highlight more the broadening and renormalization that occurs. If you want accurate values of the ZPR at 0K you can look at the table above.  
tutorials/temperature.1461503383.txt.gz · Last modified: 2016/04/24 13:09 by Yann Pouillon