wannier-berri/wannier-berri issues and pull requests

#351 - Question about plotting Berry curvature

Issue - State: open - Opened by sfqian 9 days ago

#350 - Wannierise2

Pull Request - State: open - Opened by stepan-tsirkin 17 days ago

#349 - The question about the "smearEf" parameter when calculating AHC.

Issue - State: open - Opened by xiuxianYang about 1 month ago - 4 comments

#348 - adding C3v symmetry in system.set_symmetry() error

Issue - State: open - Opened by SaranshaM about 1 month ago - 2 comments

#346 - Shift current and injection current calculations

Issue - State: open - Opened by 214786214 about 2 months ago - 1 comment

#345 - Tabulating only a specific component of a quantity

Issue - State: open - Opened by minkyu-p about 2 months ago - 1 comment

#344 - Dwann

Pull Request - State: closed - Opened by stepan-tsirkin 2 months ago

#343 - Order bk vectors consistently for all k-points

Pull Request - State: closed - Opened by stepan-tsirkin 2 months ago - 1 comment

#342 - extracted w90files and wannierise into separate submodules

Pull Request - State: closed - Opened by stepan-tsirkin 2 months ago

#341 - Disentanglement with sitesymmetry and frozen window

Pull Request - State: closed - Opened by stepan-tsirkin 2 months ago

#339 - problem about out of memory

Issue - State: open - Opened by sfqian 3 months ago - 4 comments

#338 - problem with latest VASP (probably, order of spins)

Issue - State: open - Opened by Rahullmp 3 months ago - 2 comments

#337 - Reproducing postw90 Fe Berry curvature by Wannierberri

Issue - State: closed - Opened by Vahid999 3 months ago - 5 comments

#336 - How to calculate Berry curvature dipole value for 2D system i.e, along xz and yz component

Issue - State: closed - Opened by SaranshaM 3 months ago - 12 comments

#335 - Docstrings

Pull Request - State: closed - Opened by stepan-tsirkin 3 months ago

#334 - SHC - Magnetic system - Help

Issue - State: open - Opened by albertuik99 3 months ago - 1 comment

#333 - Cannot allocate memory for superlarge system

Issue - State: open - Opened by sougataphy 4 months ago - 17 comments

#332 - ValueError: Invalid fortran file '/public/home/reduced_NB=60/wannier90.uHu

Issue - State: open - Opened by shishirkrpandey 4 months ago - 1 comment

#331 - Calculating total Berry curvature over a BZ segment

Issue - State: open - Opened by Vahid999 4 months ago - 3 comments

#329 - publish-pypi.yml

Pull Request - State: closed - Opened by stepan-tsirkin 4 months ago

#328 - * removed imaginary part of shift current

Pull Request - State: closed - Opened by stepan-tsirkin 4 months ago

#327 - Aa diag zero

Pull Request - State: closed - Opened by stepan-tsirkin 5 months ago

#326 - do_ws_dist for random systems not working correctly?

Issue - State: closed - Opened by sjhong6230 5 months ago - 2 comments

#325 - Different Results for Wannier90-3.1.0 and Wannier90-develop

Issue - State: closed - Opened by sjhong6230 5 months ago - 1 comment

#324 - Translation Invariant Computation and Symmetrization of SHC

Pull Request - State: closed - Opened by sjhong6230 5 months ago - 3 comments

#323 - How can I obtain the Berry curvature varying with k-points in reciprocal space, rather than in the femsf format?

Issue - State: open - Opened by physicswangsy 6 months ago - 4 comments

#322 - Error using pythtb interface

Issue - State: closed - Opened by apezol 6 months ago - 5 comments

#320 - finding why pytest not pass

Pull Request - State: closed - Opened by Liu-Xiaoxiong 7 months ago - 1 comment

#319 - Emcha calc test

Pull Request - State: closed - Opened by Liu-Xiaoxiong 7 months ago

#318 - Emcha final

Pull Request - State: closed - Opened by Liu-Xiaoxiong 7 months ago - 1 comment

#317 - cleanup not supported stuff

Pull Request - State: closed - Opened by stepan-tsirkin 7 months ago - 1 comment

#316 - Symmetrize SHC, OO, GG

Pull Request - State: closed - Opened by stepan-tsirkin 7 months ago - 6 comments

#315 - Symmetrize SHC and OO and GG

Pull Request - State: closed - Opened by stepan-tsirkin 7 months ago

#314 - saving eig and mmn as npz

Pull Request - State: closed - Opened by stepan-tsirkin 7 months ago - 1 comment

#312 - Some rearrangements to optimize the system

Pull Request - State: closed - Opened by stepan-tsirkin 8 months ago - 1 comment

#311 - Tutorial of Shift current

Issue - State: open - Opened by LiFu1997 8 months ago - 1 comment

#310 - Save system

Pull Request - State: closed - Opened by stepan-tsirkin 8 months ago - 1 comment

#309 - Recentering off-diagonal translation invariant matrix elements after do_ws_dist()

Issue - State: closed - Opened by sjhong6230 8 months ago - 4 comments

#308 - Spatially-dispersive conductivity tensor

Pull Request - State: closed - Opened by scarpoz 8 months ago - 6 comments

#307 - Disable symmetrization for convention II

Pull Request - State: closed - Opened by sjhong6230 8 months ago - 13 comments

#305 - Temperature dependence of spin hall (or any other) conductivity

Issue - State: open - Opened by ngohainc 9 months ago - 21 comments

#304 - Problem regarding wannier90.spn file from WAVECAR

Issue - State: open - Opened by pachineela 9 months ago - 2 comments

#302 - the results of SHC calculated by ryoo and Qiao method are very different

Issue - State: open - Opened by Weian-Guo 9 months ago - 5 comments

#300 - Unit of morb and Morb

Issue - State: closed - Opened by yilinzhao222 9 months ago - 1 comment
Labels: duplicate

#299 - allowed nspin=2 in pythtb interface

Pull Request - State: closed - Opened by stepan-tsirkin 9 months ago - 1 comment

#298 - update for releasing v0.15.0

Pull Request - State: closed - Opened by stepan-tsirkin 10 months ago

#297 - fixed most of pep8 issues.

Pull Request - State: closed - Opened by stepan-tsirkin 10 months ago - 1 comment

#296 - Hexagonal ahc: experiment, Wannierberri and postw90

Issue - State: open - Opened by Vahid999 10 months ago

#295 - more tests

Pull Request - State: closed - Opened by stepan-tsirkin 10 months ago - 1 comment

#294 - more specific tests

Pull Request - State: closed - Opened by stepan-tsirkin 10 months ago - 1 comment

#291 - fermisurfer shows no berry curvature

Issue - State: closed - Opened by Vahid999 11 months ago - 8 comments

#289 - Error in loading system with transl_inv_JM=True

Issue - State: open - Opened by ryotaono10 11 months ago - 1 comment

#288 - Disentanglement from wannier90 inputs

Pull Request - State: closed - Opened by stepan-tsirkin 11 months ago - 1 comment

#287 - fixed bug in the Velocity formula

Pull Request - State: closed - Opened by stepan-tsirkin 12 months ago - 1 comment

#286 - Probably a Bug: Inconsistency in Velocity Matrix Calculation When Using Multiple Keys in Calculators

Issue - State: closed - Opened by ma455173220 12 months ago - 3 comments

#285 - testing data in systems

Pull Request - State: closed - Opened by stepan-tsirkin 12 months ago - 1 comment

#284 - Calculator SHC. Reading from FPLO data

Issue - State: open - Opened by cardenas97 12 months ago - 13 comments

#282 - Optimization of sym_wann -NEW!

Pull Request - State: closed - Opened by stepan-tsirkin almost 1 year ago - 1 comment

#281 - refactor utils to be included in codecov

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#280 - Fix spin factor

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#279 - Allow to manually set spin pairs

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 4 comments

#278 - replaced data for test Fe_sym, and reference files

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#277 - Incorrect SHC result calculated on ferromangetic Fe (bcc) using spn file gererated from Vasp

Issue - State: closed - Opened by ngohainc about 1 year ago - 1 comment
Labels: duplicate

#276 - implemented k-resolved static calculators

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#275 - calculator `Morb` is not compatible with a Path

Issue - State: closed - Opened by shishirkrpandey about 1 year ago - 8 comments

#274 - Incorrect Spin Hall Conductivity Calculation using WannierBerri and VASP

Issue - State: open - Opened by ma455173220 about 1 year ago - 18 comments

#273 - transl_inv_OSD

Pull Request - State: closed - Opened by scarpoz about 1 year ago - 3 comments

#272 - Fixing pyfftw

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#271 - more tests of sym_wann

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago

#270 - compatibility with spglib>=2

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#269 - removed old_API and corresponding tests and documentation

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 2 comments

#268 - source code is now uploaded to pypi

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#267 - changed all zeros_like to np.zeros

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago

#266 - added python-3.11

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#265 - remove wannier90io from dependencies

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#264 - update for releasing v0.14.0

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago

#263 - changes TRodd, Iodd, TRtrans to more general transformations

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#262 - added test for dynamical caclculators with symmetrising results

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#261 - documentation for kdotp

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#260 - adding documentation to the main repository

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago - 1 comment

#259 - created docs index

Pull Request - State: closed - Opened by stepan-tsirkin about 1 year ago

#258 - Possible unhandled exception in Grid(length) with system.System_tb(mp_grid)

Issue - State: open - Opened by elchatz about 1 year ago - 1 comment

#256 - About shift photocurrent

Issue - State: closed - Opened by starofus10 over 1 year ago

#255 - Memory problem

Issue - State: closed - Opened by LiFu1997 over 1 year ago

#253 - Generating and Using uHu files

Issue - State: open - Opened by alisufyan15 over 1 year ago - 6 comments

#252 - Implementing Degenerate Perturbation Theory for Velocity Matrix Elements in WannierBerri

Issue - State: closed - Opened by Echoxiangmega over 1 year ago

#251 - Problem with obtaining tight binding band structure

Issue - State: closed - Opened by HeejuKim95 over 1 year ago - 6 comments

#250 - Transl_inv_offdiag - new

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 3 comments

#249 - translational invariance for off-diagonal position matrix elements

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 1 comment

#248 - optimization of SymWann

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 1 comment

#247 - Query regarding WB parallelization on multiple node

Issue - State: open - Opened by aophysics over 1 year ago - 3 comments

#246 - fixed rename of w90io

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 1 comment

#245 - rearrangements in sym_wann

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 5 comments

#244 - Fix tutorials to use data from tests

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 2 comments

#243 - Kdotp

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 1 comment

#242 - RuntimeError: The data has an uncaught error that led to the planner returning NULL. This is a bug

Issue - State: open - Opened by ChenqiangHua over 1 year ago - 9 comments

#241 - Orbital angular momentum matrix

Issue - State: closed - Opened by Echoxiangmega over 1 year ago

#240 - SystemSparse

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 1 comment

#238 - allowed evaluation of multiple sets of Fermi levels in one calculatio…

Pull Request - State: closed - Opened by stepan-tsirkin over 1 year ago - 2 comments

#237 - Numba problem : cannot import name 'npdatetime_helpers' from 'numba.np'

Issue - State: closed - Opened by HeejuKim95 over 1 year ago - 5 comments

GitHub / wannier-berri/wannier-berri issues and pull requests