
Wannier90
 Referenced in 12 articles
[sw01010]
 Tool for Obtaining MaximallyLocalised Wannier Functions. http://cpc.cs.qub.ac.uk/summaries/AEAK_v1_0.html. We present wannier90, a program ... calculating maximallylocalised Wannier functions (MLWF) from a set of Bloch energy bands that ... visualisation and other postprocessing purposes. Wannier functions are already used in a wide variety...

Wien2wannier
 Referenced in 2 articles
[sw06813]
 augmented plane waves to maximally localized Wannier functions WIEN2WANNIER is an interface program between WIEN2k ... WANNIER90 to obtain maximally localized Wannier functions from WIEN2k calculations...

FLEUR
 Referenced in 3 articles
[sw22272]
 make contact to electronically complex materials. Hybrid functionals [17,18] and the optimizedeffectivepotential ... method [15,19] have been implemented. Wannier functions [20] can be constructed to make contact...

BoltzWann
 Referenced in 1 article
[sw16784]
 transport properties with a maximallylocalized Wannier functions basis. We present a new code ... extended systems with a maximallylocalized Wannier function basis set. The semiclassical Boltzmann transport equations ... energies and band derivatives are obtained via Wannier interpolations. Thanks ... exponential localization of the Wannier functions obtained, very high accuracy in the Brillouin zone integrals...

EPW
 Referenced in 1 article
[sw06043]
 electronphoton coupling using maximally localized Wannier functions EPW makes use of a realspace ... ESPRESSO package with the maximally localized Wannier functions provided by the wannier90 package in order...

woptic
 Referenced in 1 article
[sw17820]
 woptic: Optical conductivity with Wannier functions and adaptive kmesh refinement. We present an algorithm ... from dynamical meanfield theory (DMFT). Wannier functions and dipole matrix elements are computed with...

LAPACK
 Referenced in 1642 articles
[sw00503]
 LAPACK is written in Fortran 90 and provides...

WIEN2k
 Referenced in 43 articles
[sw04975]
 The program package WIEN2k allows to perform electronic...

ABINIT
 Referenced in 45 articles
[sw06111]
 ABINIT is a package whose main program allows...

XCrySDen
 Referenced in 5 articles
[sw12504]
 XCrySDen is a crystalline and molecular structure visualisation...

Julia
 Referenced in 283 articles
[sw13986]
 Julia: A fast dynamic language for technical computing...

fhi98PP
 Referenced in 10 articles
[sw17871]
 Ab initio pseudopotentials for electronic structure calculations of...

VMD
 Referenced in 84 articles
[sw18651]
 VMD is a molecular visualization program for displaying...