fix broken vasp workflows neb.yaml + spinorbit_coupling.yaml

janosh · janosh · commit e376179b0409 · 2022-01-16T12:24:32.000Z
diff --git a/atomate/vasp/workflows/base/library/neb.yaml b/atomate/vasp/workflows/base/library/neb.yaml
@@ -45,7 +45,6 @@ fireworks:
 # Second round NEB (fine)
 - fw: atomate.vasp.fireworks.core.NEBFW
   user_incar_settings:
-    EDIFFG: -0.03
     EDIFFG: -0.03
     IOPT: 1
   user_kpoints_settings:
diff --git a/atomate/vasp/workflows/base/library/spinorbit_coupling.yaml b/atomate/vasp/workflows/base/library/spinorbit_coupling.yaml
@@ -10,4 +10,4 @@ fireworks:
     parents: 1
     saxis: [0, 0, 1]
     magmom: null
-    vasp_cmd: >>vasp_ncl<<
+    vasp_cmd: '>>vasp_ncl<<'
