diff --git a/assets/espresso/neb.j2.in b/assets/espresso/neb.j2.in index 1560e217..06f8ca84 100644 --- a/assets/espresso/neb.j2.in +++ b/assets/espresso/neb.j2.in @@ -6,7 +6,7 @@ BEGIN_PATH_INPUT nstep_path = 50, ds = 2.D0, opt_scheme = "broyden", - num_of_images = {{ 2 + (input.INTERMEDIATE_IMAGES.length || neb.nImages) }}, + num_of_images = {{ 2 + (input.INTERMEDIATE_IMAGES.length or neb.nImages) }}, k_max = 0.3D0, k_min = 0.2D0, CI_scheme = "auto", diff --git a/assets/vasp/INCAR_neb.j2 b/assets/vasp/INCAR_neb.j2 index bf5c5e70..fb7fccdd 100644 --- a/assets/vasp/INCAR_neb.j2 +++ b/assets/vasp/INCAR_neb.j2 @@ -4,6 +4,6 @@ EDIFFG = -0.001 ENCUT = 500 NELM = 100 NSW = 100 -IMAGES = {{ input.INTERMEDIATE_IMAGES.length || neb.nImages }} +IMAGES = {{ input.INTERMEDIATE_IMAGES.length or neb.nImages }} SPRING = -5 ISPIN = 2