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Mon, 29 Sep 2025 07:59:47 GMT (envelope-from git) Date: Mon, 29 Sep 2025 07:59:47 GMT Message-Id: <202509290759.58T7xl4B062645@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: ce81479ae0e2 - main - science/wannier90: Improve pkg-descr List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: X-BeenThere: dev-commits-ports-main@freebsd.org Sender: owner-dev-commits-ports-main@FreeBSD.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: ce81479ae0e2863fdfe00936b950be17173c2cdd Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=ce81479ae0e2863fdfe00936b950be17173c2cdd commit ce81479ae0e2863fdfe00936b950be17173c2cdd Author: Yuri Victorovich AuthorDate: 2025-09-29 07:59:27 +0000 Commit: Yuri Victorovich CommitDate: 2025-09-29 07:59:27 +0000 science/wannier90: Improve pkg-descr --- science/wannier90/pkg-descr | 17 +++++++++++++++-- 1 file changed, 15 insertions(+), 2 deletions(-) diff --git a/science/wannier90/pkg-descr b/science/wannier90/pkg-descr index b1bce64c43cd..9aa0b87cae34 100644 --- a/science/wannier90/pkg-descr +++ b/science/wannier90/pkg-descr @@ -1,2 +1,15 @@ -The computer program that calculates maximally-localized Wannier functions -(MLWFs) and Wannier90 for quantum chemistry and physics fields. +Wannier90 is an open-source software package for generating maximally- +localized Wannier functions (MLWFs) and utilizing them to calculate +advanced electronic properties of materials with high efficiency and +accuracy. It is widely used in computational materials science and +interfaced with numerous popular electronic structure codes such as +Quantum ESPRESSO, ABINIT, VASP, and Siesta. + +The program exploits the real-space localization of MLWFs for efficient +Wannier interpolation of spectral and Fermi-surface properties. Its +applications include calculating electronic band structures, densities +of states, Fermi surfaces, and various transport properties. Wannier90 +also supports advanced functionalities like symmetry-adapted MLWFs, +calculation of shift currents, and Berry-curvature dipole, making it a +versatile tool for analyzing chemical bonding, dielectric properties, +and topological features in materials.