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exercises:2017_ethz_mmm:stm [2017/05/25 12:23]
dpasserone
exercises:2017_ethz_mmm:stm [2017/05/25 12:27] (current)
dpasserone
Line 124: Line 124:
 the first three C atoms will be labelled as C1 the first three C atoms will be labelled as C1
 and the C atoms from 4 to 6 will be labelled as C2 and the C atoms from 4 to 6 will be labelled as C2
 +<​code>​
 +222
 +   
 +  C1        6.0848407282 ​       7.8280098155 ​      ​21.6125989354
 +  C1        6.0865671686 ​      ​12.7633436664 ​      ​21.6071222309
 +  C1        6.1020007836 ​      ​10.2957686990 ​      ​21.6036624306
 +  C2       ​56.3447906713 ​      ​10.2958157091 ​      ​21.6033852713
 +  C2       ​56.3619529363 ​       7.8280149623 ​      ​21.6128774460
 +  C2       ​56.3601930737 ​      ​12.7634261117 ​      ​21.6063533886
 +  H         ​4.9837063610 ​       7.8327959357 ​      ​21.5912164696
 +  H         ​4.9855872642 ​      ​12.7623732365 ​      ​21.5844580428
 +</​code>​
  
 </​note>​ </​note>​
- + 
 +<note important>​ 
 +Notice the difference between the images in TASK_2 and the images in TASK_1 
 +In TASK_2 we have KS states localised at the termini of the ribbon. 
 +These states are suppressed by the addiitonal H atoms in TASK_1 
 +</​note>​
  
exercises/2017_ethz_mmm/stm.1495715029.txt.gz · Last modified: 2017/05/25 12:23 by dpasserone