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initial formatting changes complete

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viessm_h
2026-01-06 16:40:15 +01:00
parent 173f822230
commit 5f759a629a
81 changed files with 806 additions and 1113 deletions
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docs/merlin7/05-Software-Support/quantum-espresso.md
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@@ -1,11 +1,4 @@
---
title: Quantum Espresso
keywords: Quantum Espresso software, compile
summary: "Quantum Espresso code for electronic-structure calculations and materials modeling at the nanoscale"
sidebar: merlin7_sidebar
toc: false
permalink: /merlin7/quantum-espresso.html
---
# Quantum Espresso
## Quantum ESPRESSO
@@ -121,7 +114,6 @@ module purge
module use Spack unstable
module load nvhpc/25.3 openmpi/5.0.7-e3bf-GH200-gpu fftw/3.3.10-sfpw-omp hdf5/develop-2.0-ztvo nvpl-blas/0.4.0.1-3zpg nvpl-lapack/0.3.0-ymy5 netlib-scalapack/2.2.2-qrhq cmake/3.31.6-5dl7
cd <path to QE source directory>
mkdir build
cd build