From 6e2a864f95346f6ecc93960bd08556e5f90e7542 Mon Sep 17 00:00:00 2001 From: QuanSheng Wu Date: Tue, 10 Mar 2020 20:15:21 +0100 Subject: [PATCH] update --- README.md | 15 +++++++++++++-- src/ek_bulk.f90 | 4 ++-- 2 files changed, 15 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 4f7126bc..34467114 100644 --- a/README.md +++ b/README.md @@ -20,7 +20,15 @@ git clone https://github.com/quanshengwu/wannier_tools.git **Brief introductions** ------------------------- -We present an open-source software package WannierTools, a tool for investigation of novel topological materials. This code works in the tight-binding framework, which can be generated by another software package Wannier90 . It can help to classify the topological phase of a given materials by calculating the Wilson loop, and can get the surface state spectrum which is detected by angle resolved photoemission (ARPES) and in scanning tunneling microscopy (STM) experiments . It also identifies positions of Weyl/Dirac points and nodal line structures, calculates the Berry phase around a closed momentum loop and Berry curvature in a part of the Brillouin zone(BZ). +We present an open-source software package WannierTools, a software for investigation of novel topological materials. +This code works in the tight-binding framework, which can be generated by another software package Wannier90. +It can help to classify the topological phase of a given materials by calculating the Wilson loop, +and can get the surface state spectrum which is detected by angle resolved photoemission (ARPES) and in +scanning tunneling microscopy (STM) experiments . It also identifies positions of Weyl/Dirac points and nodal line structures, +calculates the Berry phase around a closed momentum loop and Berry curvature in a part of the Brillouin zone(BZ). +Besides, WannierTools also can calculate ordinary magnetoresistance for non-magnetic metal and semimetal +using Boltzmann transport theory, calculate Landau level spectrum with given magnetic field direction and strength, +and get unfolded energy spectrum from a supercell calculation. **License and Citation** ------------------------- @@ -28,12 +36,14 @@ WannierTools was released under GPL V3. If you use our code for your research, p like “ The surface spectrums or Berry curvature, Wilson loop, Weyl/Dirac points, Nodal line, Chirality et al. are calculated by the software package WannierTools~\cite{Wu2017}. " -Please use **WannierTools** instead of "wannier_tools" , "wannier-tools" or WannierTool". +Please use **WannierTools** instead of "wannier_tools" , "wannier-tools" or WannierTool" when you cite our software. For the surface state calculation, please also cite {Sancho1985}. For the Wilson loop calculation, please also cite PhysRevB.84.075119 and PhysRevB.83.035108. +For magnetoresistance calculation, please cite Magnetoresistance from Fermi surface topology, ShengNan Zhang, QuanSheng Wu, Yi Liu, and Oleg V. Yazyev, Phys. Rev. B 99, 035142 (2019) + Reference ``` @@ -59,6 +69,7 @@ Sancho1985: [Highly convergent schemes for the calculation of bulk and surface G [Full list of citations from the ADS Databases](http://adsabs.harvard.edu/abs/2018CoPhC.224..405W) +* Non-Abelian band topology in noninteracting metals, QuanSheng Wu, Alexey A. Soluyanov, and Tomas Bzdusek, Science 365, 1273 (2019) * Phonon-Induced Topological Transition to a Type-II Weyl Semimetal, Lin-Lin Wang, Na Hyun Jo, Yun Wu, QuanSheng Wu, Adam Kaminski, Paul C. Canfield, Duane D. Johnson, [arXiv:1703.07292] (https://128.84.21.199/abs/1703.07292) * Unique topological surface states of full-Heusler topological crystalline insulators, Anh Pham and Sean Li, [Phys. Rev. B 95, 115124 (2017)](https://journals.aps.org/prb/abstract/10.1103/PhysRevB.95.115124) * Saddle-like topological surface states on the TT'X family of compounds (T, T' = Transition metal, X= Si, Ge) Bahadur Singh, Xiaoting Zhou, Hsin Lin, Arun Bansil, [arXiv:1703.04048] (https://arxiv.org/abs/1703.04048) diff --git a/src/ek_bulk.f90 b/src/ek_bulk.f90 index c678a197..642066ef 100644 --- a/src/ek_bulk.f90 +++ b/src/ek_bulk.f90 @@ -173,7 +173,7 @@ subroutine ek_bulk_line write(outfileindex, '(a)')'set xtics font ",24"' write(outfileindex, '(a)')'set ytics font ",24"' write(outfileindex, '(a)')'set ylabel font ",24"' - write(outfileindex, '(a)')'set ylabel offset 1.5,0' + write(outfileindex, '(a)')'set ylabel offset 0.5,0' write(outfileindex, '(a, f10.5, a)')'set xrange [0: ', maxval(k3len), ']' write(outfileindex, '(a,f12.6)')'emin=', emin write(outfileindex, '(a,f12.6)')'emax=', emax @@ -478,7 +478,7 @@ subroutine ek_bulk_plane write(outfileindex, '(a)')'set autoscale fix' write(outfileindex, '(a)')'set pm3d interpolate 4,4' write(outfileindex, '(2a)')"splot 'bulkek_plane.dat' u 4:5:8 w pm3d, \" - write(outfileindex, '(2a)')" 'bulkek_plane.dat' u 4:5:9 w pm3d" + write(outfileindex, '(2a)')" 'bulkek_plane.dat' u 4:5:7 w pm3d" close(outfileindex)