Fix pwscf analyzer when eigenvalues touch

2021-03-23 21:30:25 -04:00 · 2021-03-23 21:30:25 -04:00 · 8c0faf265e
parent 8334156c17
commit 8c0faf265e
1 changed files with 1 additions and 0 deletions
--- a/nexus/lib/pwscf_analyzer.py
+++ b/nexus/lib/pwscf_analyzer.py
@ -288,6 +288,7 @@ class PwscfAnalyzer(SimulationAnalyzer):
                    for j in range(i+1,i_occ):
                        seigs+=lines[j]
                    #end for
+                    seigs = seigs.replace('-',' -') # For cases where the eigenvalues "touch", e.g. -144.9938-144.9938 -84.3023
                    seigs = seigs.strip()
                    eigs = array(seigs.split(),dtype=float)