wannier

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2024/07/09 [Wannier] Initial projections for 2pz orbitals in Wannier90 mliud...@student.ubc.ca
2024/06/21 Re: [Wannier] benzene.mmn has not the right number of bands Jerome Jackson
2024/06/19 [Wannier] benzene.mmn has not the right number of bands wangzongyi
2024/06/18 [Wannier] problem with memory in pe2wannier90.x Ireneusz Buganski
2024/06/18 Re: [Wannier] Unit of plotted WF / Normalisation of plotted WF Mostofi, Arash
2024/06/18 Re: [Wannier] How to select projections? Mostofi, Arash
2024/06/18 [Wannier] about mp_grid and berry_kmesh Bhargab Kakati
2024/06/18 [Wannier] How to select projections? wangzongyi
2024/06/12 [Wannier] Unit of plotted WF / Normalisation of plotted WF alexander.rehn
2024/06/07 Re: [Wannier] Centre of Wannier functions 李滕辉
2024/06/07 Re: [Wannier] Centre of Wannier functions Giovanni Pizzi
2024/06/07 [Wannier] Centre of Wannier functions 李滕辉
2024/06/06 [Wannier] Dipole correction in Wannier90 Stefan Velja
2024/06/06 [Wannier] periodicity of Mmn in the Brillouin zone marcin . kurpas
2024/06/03 [Wannier] SIESTA with wannier90 *.nnkp Jigneshkumar Barot
2024/05/08 [Wannier] Disentanglement Convergence Criteria and Wannierization Quality wenusaras
2024/04/23 [Wannier] Making changes in output hopping parameter and onsite energy Asif Ali 1810506
2024/04/22 [Wannier] MPI compilation issue on fedora wenusaras
2024/04/17 [Wannier] Error in postw90.x when calculate the complex optical conductivity ???????? ????
2024/04/11 [Wannier] [Wannier90] initial projections wenusaras
2024/04/08 [Wannier] error in wannier90.x 夏宇阳
2024/03/19 Re: [Wannier] Abinit interface to Wannier90 code for spinor wave functions Giovanni Pizzi
2024/03/14 Re: [Wannier] Wannier90 and GPU Nicola Marzari
2024/03/14 [Wannier] Wannier90 and GPU Bhargab Kakati
2024/03/09 [Wannier] Abinit interface to Wannier90 code for spinor wave functions Shima Sharifi (Tyndall)
2024/03/03 [Wannier] Regarding open_grid.x wenusaras
2024/02/29 [Wannier] Mismatch in bands path vs dft calculation Karkee, Rijan
2024/02/29 Re: [Wannier] how to find out the projection used in SCDM method Giovanni Pizzi
2024/02/29 [Wannier] how to find out the projection used in SCDM method Bhargab Kakati
2024/02/08 [Wannier] Spin berry curvature for each spin separately Souren Adhikary
2024/02/08 [Wannier] Time taken for Wannier90 calculation Akhil g.nair
2024/02/05 [Wannier] Error in w90_wannier90_readwrite_read: mismatch Karkee, Rijan
2024/02/02 [Wannier] Is the berry curvature printed in Wannier gauge in postw90? Vahid Askarpour
2024/01/06 Re: [Wannier] Postw90 and Berry curvature origin Vahid Askarpour
2024/01/06 Re: [Wannier] Postw90 and Berry curvature origin David Vanderbilt
2024/01/03 [Wannier] Postw90 and Berry curvature origin Vahid Askarpour
2023/11/11 [Wannier] seg fault during wannier_setup call in library mode Jacopo Simoni
2023/11/11 Re: [Wannier] Finding Berry curvature in BZ Vahid Askarpour
2023/11/11 Re: [Wannier] Finding Berry curvature in BZ Stepan Tsirkin
2023/11/09 Re: [Wannier] kslice Matplotlib griddata error Vahid Askarpour
2023/11/09 Re: [Wannier] kslice Matplotlib griddata error Bhargab Kakati
2023/11/09 [Wannier] kslice Matplotlib griddata error Vahid Askarpour
2023/11/08 Re: [Wannier] k-gradient implementation Lun Yue
2023/11/07 Re: [Wannier] k-gradient implementation Junfeng Qiao
2023/11/06 [Wannier] Finding Berry curvature in BZ Vahid Askarpour
2023/11/06 Re: [Wannier] k-gradient implementation Lun Yue
2023/11/04 Re: [Wannier] k-gradient implementation Jonathan Yates
2023/11/03 Re: [Wannier] k-gradient implementation Nicola Marzari
2023/11/03 [Wannier] k-gradient implementation Lun Yue
2023/11/03 [Wannier] Density matrix in Wannier basis Jacopo Simoni
2023/11/01 [Wannier] Help with spin up down band structure with spin orbit coupling Malcolm Jardine
2023/10/31 Re: [Wannier] 回复: Query about wannier90 calculations on disordered supercell Nicola Marzari
2023/10/31 Re: [Wannier] 回复: Query about wannier90 calculations on disordered supercell Mouyang Cheng
2023/10/31 Re: [Wannier] 回复: Query about wannier90 calculations on disordered supercell Stepan Tsirkin
2023/10/27 Re: [Wannier] Query about wannier90 calculations on disordered supercell Stepan Tsirkin
2023/10/25 [Wannier] Query about wannier90 calculations on disordered supercell Mouyang Cheng
2023/10/19 [Wannier] VASP + wannier90 interface unenable to exclude bands for the calculation Ajay Partap Singh Rana
2023/10/17 [Wannier] choice of kslice vectors in the BZ in example-18 of wannier90 Bhargab Kakati
2023/08/23 [Wannier] Spin Down Channel Trapped in Local Minimum Patrick Taylor
2023/08/08 [Wannier] Trouble getting symmetry adapted Wannier functions to converge Sink, Joe R
2023/08/04 Re: [Wannier] Trouble with kmesh/ bvectors Jonathan Yates
2023/08/02 [Wannier] Can we calculate Topological Hall Effect (THE) in wannier90? Bhargab Kakati
2023/08/02 [Wannier] gamma_only= true - wannier90.mmn has not the right number of nearest neighbours Mohammad Sadegh Talezadehlari
2023/07/31 [Wannier] [SPAM] postw90.x gets stucked while reading Distance to Nearest-Neighbour Shells Bhargab Kakati
2023/07/25 [Wannier] comparing QE and Wannier bands Adam Michalchuk
2023/07/17 [Wannier] [SPAM] significant discrepancy in wannier90 interpolated band structure and DFT band structure Bhargab Kakati
2023/07/11 [Wannier] discrepancy in wannier90 interpolated bandstructure and DFT bandstructure Bhargab Kakati
2023/07/07 [Wannier] Output abnormally 庞瑞
2023/07/05 [Wannier] executing wannier90.x in parallel: Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Simon Imanuel Rombauer
2023/06/16 Re: [Wannier] Hermiticity of Berry potential matrix Lun Yue
2023/06/05 [Wannier] Overlap matrix between wannier function Dongkyu Lee
2023/06/04 Re: [Wannier] Hermiticity of Berry potential matrix David Vanderbilt
2023/05/30 [Wannier] Hermiticity of Berry potential matrix Lun Yue
2023/04/26 Re: [Wannier] No seedname_u.mat output + segmentation fault Payden Brown
2023/04/25 [Wannier] No seedname_u.mat output + segmentation fault Payden Brown
2023/04/05 [Wannier] Wannier Developer Meeting Jerome Jackson
2023/04/05 Re: [Wannier] wannier90.amn has not the right number of projections Mostofi, Arash
2023/04/05 [Wannier] wannier90.amn has not the right number of projections Mohammad Sadegh Talezadehlari
2023/04/02 [Wannier] error reading the .snn file Elio Physics
2023/03/28 [Wannier] help ilhan.yavuz
2023/02/09 Re: [Wannier] Mismatch in kpt_latt vs. Non-symmetric k-point neighbour Vahid Askarpour
2023/02/09 [Wannier] Mismatch in kpt_latt vs. Non-symmetric k-point neighbour Vahid Askarpour
2023/01/26 Re: [Wannier] Integrals over 1 or 2 MLWF's elchatz
2023/01/12 Re: [Wannier] Direct Lattice Mismatch 아리담싼니얼
2022/11/21 [Wannier] hamiltonian_wigner_seitz: error zhouchao
2022/11/15 Re: [Wannier] SCDM-k method and centering of WFs Giovanni Pizzi
2022/11/07 [Wannier] SCDM-k method and centering of WFs Marco Marino
2022/10/01 [Wannier] Berry connection. Thi Xuan Diem Dang
2022/09/28 [Wannier] Wannier functions on the IBZ Monteiro Campos de Melo, P.M. (Pedro)
2022/09/03 [Wannier] Fermi velocity calculation Surasree Sadhukhan
2022/07/27 [Wannier] Wannier90 Post Processing with VASP Francis Coen
2022/07/19 [Wannier] SHC calculation issue Park, In Jun
2022/07/01 [Wannier] Problem regarding Wannier90 Disentanglement Surasree Sadhukhan
2022/06/28 [Wannier] testing problem during installation of software Jingjing Yu
2022/06/04 Re: [Wannier] Mismatch in BoltzTrap and Boltzwann results Rakshanda Dhawan
2022/06/03 [Wannier] Fwd: Mismatch in BoltzTrap and Boltzwann results Rakshanda Dhawan
2022/05/16 [Wannier] Nb Phonon and Electron Band oscillatory Wannier Interpolation Bander Linjawi
2022/04/26 [Wannier] Question: Hermition Issue [ wannier90_r.dat ] Iryan Na
2022/04/22 Re: [Wannier] Discrepancy between Wannier90 and DFT band structures Azin Kazemi Moridani
2022/04/21 Re: [Wannier] Wannier90 library developments Mostofi, Arash
2022/04/16 [Wannier] symmetry adapted wannier function for MoS2 dd
2022/04/14 Re: [Wannier] Discrepancy between Wannier90 and DFT band structures Jonathan Yates
2022/04/14 [Wannier] Discrepancy between Wannier90 and DFT band structures Azin Kazemi Moridani
2022/04/06 [Wannier] About use of local axis Shishir Pandey
2022/04/04 [Wannier] Negative value of mu during SCDM method ? saramoh
2022/03/31 [Wannier] overlap and KS Ham matrix in MLWF basis Li Wei
2022/03/21 Re: [Wannier] Compiling wannier90 on macosx with arm64 architecture Maksim Borovkov
2022/03/21 Re: [Wannier] Compiling wannier90 on macosx with arm64 architecture Jerome Jackson - STFC UKRI
2022/03/21 Re: [Wannier] Compiling wannier90 on macosx with arm64 architecture Maksim Borovkov
2022/03/21 Re: [Wannier] Compiling wannier90 on macosx with arm64 architecture Jerome Jackson - STFC UKRI
2022/03/21 [Wannier] Compiling wannier90 on macosx with arm64 architecture Maksim Borovkov
2022/03/20 [Wannier] connection elements Roozbeh Anvari
2022/03/15 [Wannier] From wien2wannier to postw90.x Marcelo Barbosa
2022/01/28 [Wannier] Wannier90 library developments Mostofi, Arash
2022/01/21 [Wannier] Issue with wannier90. SHC calculations SHUBHAM PATEL
2021/12/20 [Wannier] Berry Curvature Calculation with the Interface between Vasp and Wannier90 Kenan Song
2021/11/30 [Wannier] Request for clarification on the units of deleig Vahid Askarpour
2021/10/21 [Wannier] Postdoc position on the development and application of Wannier-function methods (San Sebastian, Spain) Stepan Tsirkin
2021/10/15 [Wannier] Wannier90_Gyrotropic Module_Unit of gamma in NOA Md Roknuzzaman
2021/10/06 Re: [Wannier] Errors when using wannier90 interface with VASP Jonathan Yates
2021/10/05 [Wannier] Errors when using wannier90 interface with VASP 邱国涛
2021/10/05 [Wannier] Two posdoctoral openings - Wannier/Hubbard/Koopmans Nicola Marzari
2021/09/21 [Wannier] representing the xsf orbitals with a shift Fabrizio Cossu
2021/09/13 [Wannier] Projection onto spin-orbit coupled basis Karunya Shirali
2021/09/12 [Wannier] Query regarding Berry curvatures for conduction and valence bands Parrydeep Kaur
2021/09/10 [Wannier] [RE]Re: definition of zaxis Fabrizio Cossu
2021/09/08 Re: [Wannier] definition of zaxis Mostofi, Arash
2021/09/06 [Wannier] Visualizing Wannier Functions in VESTA Alpin Novianus
2021/09/05 [Wannier] definition of zaxis Fabrizio Cossu
2021/09/03 [Wannier] On breaking the time-reversal symmetry of the Hamiltonian 氏家勇
2021/08/22 [Wannier] Symmetry-Adapted Wannier Functions with Spin-Orbit Interaction Shima Sharifi
2021/08/15 [Wannier] Unable to Disentangle Despite Correct Projections Truman Ng Yu
2021/08/09 [Wannier] Question: The matrix of tight-bounding parameters is not Hermitian Lithium
2021/07/20 [Wannier] Regarding 'surface card' for input card Debasish (P20PH019)
2021/07/12 [Wannier] Problems with the kslice module 氏家勇
2021/07/09 Re: [Wannier] interband matrix elements of velocity operator in geninterp.f90 Ivo Souza
2021/07/08 [Wannier] interband matrix elements of velocity operator in geninterp.f90 Sophie Beck
2021/07/08 [Wannier] Calculation of kslice for example 17 氏家勇
2021/06/28 [Wannier] Use of shifted ab initio k-grids Stepan Tsirkin
2021/06/25 Re: [Wannier] Question about the pseudopotential issue supported by wannier90 Nicola Marzari
2021/06/25 [Wannier] [Fwd: Projected Band structure] Mayuri Bora
2021/06/25 [Wannier] Question about the pseudopotential issue supported by wannier90 fang Opps
2021/06/23 [Wannier] Projected Band structure Mayuri Bora
2021/06/16 Re: [Wannier] Queries regarding Berry curvature dipole Stepan Tsirkin
2021/06/16 [Wannier] Queries regarding Berry curvature dipole Sayantika Bhowal
2021/06/07 Re: [Wannier] [SUSPECT ATTACHMENT REMOVED] SCDM error- No Gamma point found Stepan Tsirkin
2021/06/07 [Wannier] [SUSPECT ATTACHMENT REMOVED] SCDM error- No Gamma point found Roxana Morton
2021/06/02 Re: [Wannier] Error 144, wrong number of kpoints Mostofi, Arash
2021/06/02 Re: [Wannier] Error 144, wrong number of kpoints Schön , Carl-Friedrich
2021/06/01 Re: [Wannier] Error 144, wrong number of kpoints Alpin Novianus
2021/06/01 [Wannier] Error 144, wrong number of kpoints Schön , Carl-Friedrich
2021/06/01 [Wannier] mailing list ETHEM AKTURK
2021/05/26 [Wannier] Different lattice parameters for wave functions using DFT and Wannier functions Payal Wadhwa
2021/05/24 [Wannier] Facing problem in calculating projected DOS using Wannier90 Payal Wadhwa
2021/05/20 Re: [Wannier] Problem in getting the wannier function in hexagonal BN mono layer. Stepan Tsirkin
2021/05/13 [Wannier] Available examples for antiferromagnetic system? Alpin Novianus
2021/05/10 [Wannier] Fermi Energy Shift in the Band Structure Truman Ng Yu
2021/05/03 Re: [Wannier] How to convert the unit of spin Hall conductivity from "(hbar/e)*S/cm" to "e2/h"? Junfeng Qiao
2021/05/03 Re: [Wannier] parallel computing for plotting MLWFs Giovanni Pizzi
2021/05/03 Re: [Wannier] How to convert the unit of spin Hall conductivity from "(hbar/e)*S/cm" to "e2/h"? Junfeng Qiao
2021/05/02 [Wannier] parallel computing for plotting MLWFs Shima Sharifi
2021/05/02 [Wannier] How to convert the unit of spin Hall conductivity from "(hbar/e)*S/cm" to "e2/h"? Abid Rehman
2021/04/21 [Wannier] Wannier90 spin basis Iñigo Robredo
2021/04/20 Re: [Wannier] Error in Wannier90: kmesh_get: something wrong, found too many nearest neighbours Soumyadeep
2021/04/18 Re: [Wannier] Error in Wannier90: kmesh_get: something wrong, found too many nearest neighbours Jonathan Yates
2021/04/18 [Wannier] error in wannier functions results for the specified projection orbitals 刘乐雨
2021/04/03 Re: [Wannier] Enquiry about the Failure in Wannierization Calculation Kenan Song
2021/04/01 Re: [Wannier] Enquiry about the Failure in Wannierization Calculation Dominik Gresch
2021/04/01 Re: [Wannier] Enquiry about the Failure in Wannierization Calculation Kenan Song
2021/04/01 Re: [Wannier] Enquiry about the Failure in Wannierization Calculation hoangminh nguyenduy
2021/04/01 Re: [Wannier] Enquiry about the Failure in Wannierization Calculation Kenan Song
2021/04/01 Re: [Wannier] Enquiry about the Failure in Wannierization Calculation Stepan Tsirkin
2021/04/01 [Wannier] Enquiry about the Failure in Wannierization Calculation Kenan Song
2021/03/25 Re: [Wannier] kmesh_get: something wrong, found too many nearest neighbours Mostofi, Arash
2021/03/25 [Wannier] I have a question for postw90 dE/dk problem. 대학원 물리학과
2021/03/24 [Wannier] kmesh_get: something wrong, found too many nearest neighbours Hoang Minh Nguyen Duy
2021/03/19 [Wannier] Bands color for Berry curvature calculations Sotiris Fragkos
2021/03/10 [Wannier] Vanderbilt and Resta online lectures - CECAM-MARVEL "Classics in molecular and materials modelling" Nicola Marzari
2021/03/03 Re: [Wannier] How to resolve the issue "wannier90.uHu has not the right number of bands" which arise during the calculation of orbital magnetic moment using postwannier90? Stepan Tsirkin
2021/03/02 [Wannier] How to resolve the issue "wannier90.uHu has not the right number of bands" which arise during the calculation of orbital magnetic moment using postwannier90? Abid Rehman
2021/03/02 Re: [Wannier] Deducing weight of the Wannier function. elchatz
2021/03/01 [Wannier] Fwd: MPI version large systems H. Lee
2021/03/01 Re: [Wannier] Deducing weight of the Wannier function. Stepan Tsirkin
2021/03/01 [Wannier] Deducing weight of the Wannier function. elchatz
2021/02/26 Re: [Wannier] MPI version large systems Jonathan Backman
2021/02/26 Re: [Wannier] MPI version large systems Jackson, Jerome (STFC,DL,SC)
2021/02/26 [Wannier] MPI version large systems Jonathan Backman
2021/02/24 Re: [Wannier] TiO2 Iurii TIMROV
2021/02/24 Re: [Wannier] TiO2 박민규
2021/02/24 [Wannier] TiO2 Iurii TIMROV
2021/02/20 [Wannier] What information can we see from viewing the MLWFNs by xcrysden? zhangkan3
2021/02/17 Re: [Wannier] How to calculate the Berry curvature in 3D density-plot like view instead of 2D line curve Stepan Tsirkin
2021/02/17 [Wannier] DOS and PDOS calculations zhangkan3
2021/02/16 [Wannier] [Symmetry-adapted Wannier functions] symmetrize_ukirr: not converged Ming Lei
2021/02/16 [Wannier] How to calculate the Berry curvature in 3D density-plot like view instead of 2D line curve Abid Rehman
2021/02/16 [Wannier] Parallel Installation of postw90.x? Stephen Zhang
2021/02/09 [Wannier] error in pw2wannier90.x run Mahyar Servati
2021/02/07 [Wannier] Regarding internal error in k points in nscf calculations SOUMYAKANTA PANDA
2021/02/06 [Wannier] Issues with Reading Fortran Files in WannierBerri Stephen Zhang
2021/01/29 Re: [Wannier] Expanding wannier Hamiltonian of the unit cell to that of the supercell Dominik Gresch

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