From abcb7363c8e62a9b958fba88b8ec7c71040553a3 Mon Sep 17 00:00:00 2001 From: Weiguo Jing <31991208+jingslaw@users.noreply.github.com> Date: Fri, 4 Oct 2024 22:10:27 +0200 Subject: [PATCH] Added ionmov=22 to the list of valid ionmov values (#297) --- abipy/abio/inputs.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/abipy/abio/inputs.py b/abipy/abio/inputs.py index 95623016a..48c8be0b7 100644 --- a/abipy/abio/inputs.py +++ b/abipy/abio/inputs.py @@ -633,7 +633,7 @@ def runlevel(self): runlevel.add(atags.BANDS) else: runlevel.add(atags.SCF) - elif ionmov in (2, 3, 4, 5, 7, 10, 11, 20): + elif ionmov in (2, 3, 4, 5, 7, 10, 11, 20, 22): runlevel.add(atags.RELAX) if optcell == 0: runlevel.add(atags.ION_RELAX)