From 07dcb4a603a7b1acb18746f5ebe57a12cb56f540 Mon Sep 17 00:00:00 2001 From: Shyam D Date: Thu, 24 Jun 2021 08:50:33 -0700 Subject: [PATCH] Add R2SCAN to run_types --- emmet-core/emmet/core/vasp/calc_types/run_types.yaml | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/emmet-core/emmet/core/vasp/calc_types/run_types.yaml b/emmet-core/emmet/core/vasp/calc_types/run_types.yaml index 561722e06d..5c2309cb4c 100644 --- a/emmet-core/emmet/core/vasp/calc_types/run_types.yaml +++ b/emmet-core/emmet/core/vasp/calc_types/run_types.yaml @@ -66,9 +66,16 @@ METAGGA: METAGGA: RTPSS SCAN: METAGGA: SCAN + R2SCAN: + METAGGA: R2SCAN TPSS: METAGGA: TPSS VDW: + R2SCAN-rVV10: + BPARAM: 15.7 + LASPH: true + LUSE_VDW: true + METAGGA: R2SCAN SCAN-rVV10: BPARAM: 15.7 LASPH: true