Small changes in the input file of cri3.json

epfl-theos · Jun 14, 2024 · be794c1 · be794c1
1 parent 03a84da
commit be794c1
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Showing 2 changed files with 4 additions and 5 deletions.
diff --git a/tutorials/tutorial_6/cri3.json b/tutorials/tutorial_6/cri3.json
@@ -7,10 +7,8 @@
         "init_orbitals": "mlwfs",
         "calculate_alpha" : false,
 	"alpha_guess" : 0.122,
-        "pseudo_library": "pseudo_dojo_standard",
-        "gb_correction" : true,
-        "from_scratch": true,
-	"spin_polarized": true
+	"spin_polarized": true,
+        "pseudo_library": "pseudo_dojo_standard"
     },
     "atoms": {
        "cell_parameters": {

diff --git a/tutorials/tutorial_6/plot_bands.py b/tutorials/tutorial_6/plot_bands.py
@@ -19,5 +19,6 @@
 ax.legend(loc='lower right', ncol=2, bbox_to_anchor=(1, 1))
 ax.set_ylim([-5, 5])
 
-plt.show()
+#plt.show()
+plt.savefig('cri3_bandstructures.png')