Switched behavior to allow qe and elk to automatically shift by fermi

pyprocar/scripts/scriptBandStructure2DHandler.py

@@ -79,6 +79,9 @@ def __init__(self,
         parser = io.Parser(code = code, dir = dirname)
         self.ebs = parser.ebs
 
+        codes_with_scf_fermi = ['qe', 'elk']
+        if code in codes_with_scf_fermi and fermi is None:
+            fermi = self.ebs.efermi
         if fermi is not None:
             self.ebs.bands -= fermi
             self.ebs.bands += fermi_shift

pyprocar/scripts/scriptBandsplot.py

@@ -106,6 +106,9 @@ def bandsplot(
     structure = parser.structure
     kpath = parser.kpath
 
+    codes_with_scf_fermi = ['qe', 'elk']
+    if code in codes_with_scf_fermi and fermi is None:
+        fermi = ebs.efermi
     if fermi is not None:
         ebs.bands -= fermi
         ebs.bands += fermi_shift

pyprocar/scripts/scriptDosplot.py

@@ -294,6 +294,9 @@ def dosplot(
     dos = parser.dos
     structure = parser.structure
 
+    codes_with_scf_fermi = ['qe', 'elk']
+    if code in codes_with_scf_fermi and fermi is None:
+        fermi = dos.efermi
     if fermi is not None:
         dos.energies -= fermi
         dos.energies += fermi_shift

pyprocar/scripts/scriptFermi2D.py

@@ -140,6 +140,9 @@ def fermi2D(
     ebs = parser.ebs
     structure = parser.structure
 
+    codes_with_scf_fermi = ['qe', 'elk']
+    if code in codes_with_scf_fermi and fermi is None:
+        fermi = ebs.efermi
     if fermi is not None:
         ebs.bands -= fermi
         ebs.bands += fermi_shift