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--- exercises:2017_ethz_mmm:bands_1 [2017/05/10 11:20] – dpasserone
+++ exercises:2017_ethz_mmm:bands_1 [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 37: / Line 37: @@
 [[https://journals.aps.org/prb/abstract/10.1103/PhysRevB.65.233106]]
-all data necessary co construct the monoclinic phase of HfO2
+all data necessary to construct the monoclinic phase of HfO2
 </note>
@@ Line 44: / Line 44: @@
 modify the python script hfo2.py according to your needs.
-Execution of the python script will open ASE visualizer showing you the structure,
+(replace "...")
+Execution of the python script
+<code>
+python hfo2.py
+</code>
+will open the ASE visualizer showing you the structure,
 will produce the file hfo2.xyz, hfo2.png and hfo2.pov
 to create a "nice" image of the primitive cell you can render the output file hfo2.pov with the command
+<code>
 povray +W320 +H320 -I./hfo2.pov -Ohfo2 +P +X +A +FJ +C
+</code>
 or executing the script
-./povray.sc (that will take care of removing files hfo2.jpg and hfo2.inc)
+<code>
+./povray.sc
+</code>
+(that will take care of removing files hfo2.jpg and hfo2.inc)
 </note>
 <note warning>
 -how many atoms are contained in the unit cell?
+-compute the volume of the unit cell
 </note>
@@ Line 96: / Line 110: @@
 Compute the free electron bandstructure of Si and Cu
 (Have a look at the scripts included in the exercise directory)
+Write the CARTESIAN COORDINATES of the Gamma, X, W points of FCC
 </note>