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exercises:2017_ethz_mmm:stm

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exercises:2017_ethz_mmm:stm [2017/05/25 12:18] dpasseroneexercises:2017_ethz_mmm:stm [2017/05/25 12:25] dpasserone
Line 109: Line 109:
 ./run_PP ./run_PP
 </code> </code>
 +It will take ~ 5 minutes, then you will find a dir containing the AFM simulated image.
 +
 +===TASK_2===
 +Repeat all the instructions of TASK_1 for the scripts present in the dir TASK_2
 +<note warning>
 +Be carefulhere we do a spin polarized simulation,
 +we have to distinguish the three C atoms of one terminus of the ribbon from the 
 +three of the opposite terminus calling them C1 and C2.
 +
 +When the file p.xyz is created in the STM dir (after running ./pos.sc)
 +copy it immediateli to the AFM dir.
 +Now, before executing the instructions for the STM dir
 +edit the file p.xyz and modify it in such a way that
 +the first three C atoms will be labelled as C1
 +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>
 + 
  
exercises/2017_ethz_mmm/stm.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1