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fireball [2014/12/12 10:19] silja |
fireball [2016/04/01 10:17] vlada |
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- [[Si111: surface relaxation|Structure optimization]] | - [[Si111: surface relaxation|Structure optimization]] | ||
- [[Si111: surface electronic structure| Band structure]] | - [[Si111: surface electronic structure| Band structure]] | ||
+ | - Surface: Cu(111)-(1x1) | ||
+ | - [[Cu bulk structure optimization]] | ||
+ | - [[Cu 111 surface and k-points sampling]] | ||
- Others | - Others | ||
- [[Calculate real-space electronic density]] | - [[Calculate real-space electronic density]] | ||
Line 75: | Line 78: | ||
- [[Calculate U-function]] | - [[Calculate U-function]] | ||
- [[Calculate e-ph coupling]] | - [[Calculate e-ph coupling]] | ||
+ | - [[MDET]] | ||
- Development ( Not in official version ) | - Development ( Not in official version ) | ||
- [[Absorbtion spectra by Fermi golden Rule]] | - [[Absorbtion spectra by Fermi golden Rule]] |