From 3afe75e031eaecffc9d18f51f0a192fc5eaeaf37 Mon Sep 17 00:00:00 2001 From: Anubhav Jain Date: Wed, 20 Mar 2019 16:45:27 -0700 Subject: [PATCH] revert reciprocal density to PMG default --- atomate/vasp/firetasks/write_inputs.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/atomate/vasp/firetasks/write_inputs.py b/atomate/vasp/firetasks/write_inputs.py index 9bf963482..54af1f2d0 100644 --- a/atomate/vasp/firetasks/write_inputs.py +++ b/atomate/vasp/firetasks/write_inputs.py @@ -307,7 +307,7 @@ def run_task(self, fw_spec): prev_calc_dir=self.get("prev_calc_dir", "."), copy_chgcar=self.get("copy_chgcar", False), nbands_factor=self.get("nbands_factor", 1.2), - reciprocal_density=self.get("reciprocal_density", 1000), + reciprocal_density=self.get("reciprocal_density", 100), kpoints_line_density=self.get("kpoints_line_density", 20), small_gap_multiply=self.get("small_gap_multiply", None), standardize=self.get("standardize", False),