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quanshengwu committed Mar 10, 2020
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15 changes: 13 additions & 2 deletions README.md
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Expand Up @@ -20,20 +20,30 @@ 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**
-------------------------
WannierTools was released under GPL V3. If you use our code for your research, please cite it properly,
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

```
Expand All @@ -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)
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4 changes: 2 additions & 2 deletions src/ek_bulk.f90
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Expand Up @@ -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
Expand Down Expand Up @@ -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)

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