From 80272caf6a495e3efa81f280659c3c1e0832c0c9 Mon Sep 17 00:00:00 2001 From: Weine Olovsson Date: Sat, 13 Apr 2024 21:49:32 +0200 Subject: [PATCH] Update fcc_Si.md --- content/fcc_Si.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/content/fcc_Si.md b/content/fcc_Si.md index aa5edea..7c4e2f1 100644 --- a/content/fcc_Si.md +++ b/content/fcc_Si.md @@ -172,7 +172,7 @@ The job script looks like below #SBATCH --job-name=vaspjob module use /leonardo_scratch/fast/EUHPC_TD02_030/vasp_ws2024/modules - module load VASP-6.4.3-cpu1 + module load VASP/6.4.3-cpu1 module load intel-oneapi-compilers/2023.2.1 module load intel-oneapi-mpi/2021.10.0 module load intel-oneapi-mkl/2023.2.0 @@ -266,7 +266,7 @@ In this part we will calculate the total energies of fcc Si between 3.5 and 4.3 #SBATCH --job-name=vaspjob module use /leonardo_scratch/fast/EUHPC_TD02_030/vasp_ws2024/modules - module load VASP-6.4.3-cpu1 + module load VASP/6.4.3-cpu1 module load intel-oneapi-compilers/2023.2.1 module load intel-oneapi-mpi/2021.10.0 module load intel-oneapi-mkl/2023.2.0