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--- exercises:2017_ethz_mmm:stm [2017/05/25 12:18] – dpasserone
+++ exercises:2017_ethz_mmm:stm [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 109: / Line 109: @@
 ./run_PP
 </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>
+  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 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>