Implementation of the Projector Augmented-Wave Method: The Use of Atomic Datasets in the Standard PAW-XML Format (Q5161696): Difference between revisions

Latest revision as of 01:11, 18 August 2024

scientific article; zbMATH DE number 7418054

Language	Label	Description	Also known as
English	Implementation of the Projector Augmented-Wave Method: The Use of Atomic Datasets in the Standard PAW-XML Format	scientific article; zbMATH DE number 7418054

Statements

instance of

scholarly article

0 references

title

Implementation of the Projector Augmented-Wave Method: The Use of Atomic Datasets in the Standard PAW-XML Format (English)

0 references

0 references

0 references

0 references

Communications in Computational Physics

0 references

publication date

1 November 2021

0 references

zbMATH Keywords

density functional theory

0 references

PAW method

0 references

PAW-XML dataset

0 references

describes a project that uses

0 references

0 references

0 references

0 references

0 references

0 references

0 references

0 references

MaRDI publication profile

0 references

cites work

Parallel 3-dim fast Fourier transforms with load balancing of the plane waves

0 references

On the essential spectrum of Schrödinger operators

0 references

A projector augmented wave (PAW) code for electronic structure calculations. I: Atompaw for generating atom-centered functions

0 references

Toward the Optimal Preconditioned Eigensolver: Locally Optimal Block Preconditioned Conjugate Gradient Method

0 references

Electronic Structure

0 references

Optimization algorithm for the generation of ONCV pseudopotentials

0 references

Schrödinger operators in the twentieth century

0 references

A projector augmented wave (PAW) code for electronic structure calculations. II: Pwpaw for periodic solids in a plane wave basis

0 references

Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism

0 references

Self-consistent-field calculations using Chebyshev-filtered subspace iteration

0 references

full work available at URL

https://doi.org/10.4208/cicp.oa-2018-0302

0 references

Identifiers

zbMATH Open document ID

1490.81089

0 references

DOI

10.4208/cicp.OA-2018-0302

0 references

Mathematics Subject Classification ID

0 references

0 references

0 references

0 references

0 references

0 references

Sitelinks

Mathematics(1 entry)

mardi Publication:5161696

@@ Property / describes a project that uses @@
+ABINIT
@@ Property / describes a project that uses: ABINIT / rank @@
+Normal rank
@@ Property / describes a project that uses @@
+lobpcg.m
@@ Property / describes a project that uses: lobpcg.m / rank @@
+Normal rank
@@ Property / describes a project that uses @@
+PAW
@@ Property / describes a project that uses: PAW / rank @@
+Normal rank
@@ Property / MaRDI profile type @@
+MaRDI publication profile
@@ Property / MaRDI profile type: MaRDI publication profile / rank @@
+Normal rank
@@ Property / cites work @@
+Parallel 3-dim fast Fourier transforms with load balancing of the plane waves
+Normal rank
@@ Property / cites work @@
+On the essential spectrum of Schrödinger operators
+Normal rank
@@ Property / cites work @@
+A projector augmented wave (PAW) code for electronic structure calculations. I: Atompaw for generating atom-centered functions
+Normal rank
@@ Property / cites work @@
+Toward the Optimal Preconditioned Eigensolver: Locally Optimal Block Preconditioned Conjugate Gradient Method
+Normal rank
@@ Property / cites work @@
+Electronic Structure
@@ Property / cites work: Electronic Structure / rank @@
+Normal rank
@@ Property / cites work @@
+Optimization algorithm for the generation of ONCV pseudopotentials
+Normal rank
@@ Property / cites work @@
+Schrödinger operators in the twentieth century
@@ Property / cites work: Schrödinger operators in the twentieth century / rank @@
+Normal rank
@@ Property / cites work @@
+A projector augmented wave (PAW) code for electronic structure calculations. II: Pwpaw for periodic solids in a plane wave basis
+Normal rank
@@ Property / cites work @@
+Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism
+Normal rank
@@ Property / cites work @@
+Self-consistent-field calculations using Chebyshev-filtered subspace iteration
+Normal rank
@@ Property / full work available at URL @@
+https://doi.org/10.4208/cicp.oa-2018-0302
+Normal rank
@@ Property / OpenAlex ID @@
+W2953929164
@@ Property / OpenAlex ID: W2953929164 / rank @@
+Normal rank
@@ Property / Wikidata QID @@
+Q127582257
@@ Property / Wikidata QID: Q127582257 / rank @@
+Normal rank