wannier

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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
2021/01/28 [Wannier] explicit supercell calculation Aaron M
2021/01/28 Re: [Wannier] Inconsistency between DOS, Quantum conductance and Band structure Mostofi, Arash
2021/01/28 Re: [Wannier] Questions about xsf output files (units, modifying grid density) and extracting wannier functions' charge distributions Mostofi, Arash
2021/01/28 Re: [Wannier] Expanding wannier Hamiltonian of the unit cell to that of the supercell Stepan Tsirkin
2021/01/28 [Wannier] Questions about xsf output files (units, modifying grid density) and extracting wannier functions' charge distributions Wai-Ga Ho
2021/01/27 [Wannier] Expanding wannier Hamiltonian of the unit cell to that of the supercell Kenan Song
2021/01/27 Re: [Wannier] Inconsistency between DOS, Quantum conductance and Band structure Ankit Sirohi
2021/01/22 Re: [Wannier] ZHEEV in internal_new_u_and_m failed 박민규
2021/01/22 Re: [Wannier] ZHEEV in internal_new_u_and_m failed Giovanni Pizzi
2021/01/21 [Wannier] ZHEEV in internal_new_u_and_m failed 박민규
2021/01/13 [Wannier] How to write WF basis set as a combination of natural pure orbitals (s, p, d, etc.) Shima Sharifi
2021/01/10 Re: [Wannier] Incorrect k path length Christoph Wolf
2021/01/10 [Wannier] Incorrect k path length Zeeshan Ahmad
2021/01/02 Re: [Wannier] band gap of bilayer graphene Roozbeh Anvari
2020/12/31 [Wannier] band gap of bilayer graphene Roozbeh Anvari
2020/12/31 [Wannier] how to print out MLWF basis set Shima Sharifi
2020/12/28 Re: [Wannier] Post90w.x Allocation Error? Jonathan Yates
2020/12/27 Re: [Wannier] Post90w.x Allocation Error? Stephen Zhang
2020/12/27 [Wannier] Post90w.x Allocation Error? Stephen Zhang
2020/12/14 Re: [Wannier] Wannier function under applied electric field Stepan Tsirkin
2020/12/13 [Wannier] Wannier function under applied electric field Chandan Singh
2020/12/07 Re: [Wannier] How to get ratio of Im/RE in the case of Spin-orbit coupling H. Lee
2020/12/07 Re: [Wannier] inconsistency in Hamiltonian elements (_hr.dat) for spinor-valued WF, when adding "wannier_plot_spinor_mode=true" & "wannier_plot_spinor_phase=up/down" H. Lee
2020/12/07 [Wannier] inconsistency in Hamiltonian elements (_hr.dat) for spinor-valued WF, when adding "wannier_plot_spinor_mode=true" & "wannier_plot_spinor_phase=up/down" Shima Sharifi
2020/11/27 Re: [Wannier] Complex values in seedname.mmn from real VASP wavefunction Giovanni Pizzi
2020/11/27 [Wannier] Complex values in seedname.mmn from real VASP wavefunction Espen Sagvolden
2020/11/19 Re: [Wannier] [EXTERNAL] Re: pw2wannier very slow on large system Daniel Marchand
2020/11/18 Re: [Wannier] [EXTERNAL] Re: pw2wannier very slow on large system Daniel Marchand
2020/11/18 Re: [Wannier] pw2wannier very slow on large system H. Lee
2020/11/18 Re: [Wannier] pw2wannier very slow on large system Mostofi, Arash
2020/11/16 [Wannier] pw2wannier very slow on large system Daniel Marchand
2020/11/03 Re: [Wannier] Recreating radial wavefunctions from pw2wannier90 or wannier90 outputs Stepan Tsirkin
2020/11/03 Re: [Wannier] Recreating radial wavefunctions from pw2wannier90 or wannier90 outputs Lorenzo Paulatto
2020/11/02 Re: [Wannier] Recreating radial wavefunctions from pw2wannier90 or wannier90 outputs Erica Kotta
2020/10/29 Re: [Wannier] Recreating radial wavefunctions from pw2wannier90 or wannier90 outputs Giovanni Pizzi
2020/10/28 [Wannier] Recreating radial wavefunctions from pw2wannier90 or wannier90 outputs Erica Kotta
2020/10/27 [Wannier] howto V(I)? Tamas Karpati
2020/10/26 Re: [Wannier] Spin Hall conductivity Stepan Tsirkin
2020/10/26 [Wannier] Spin Hall conductivity Bipin Lamichhane
2020/10/19 Re: [Wannier] bcc Fe with VASP+Wannier90 Marcus Ekholm
2020/10/15 [Wannier] How to calculate electron and hole relaxation time Kiran Yadav
2020/10/15 Re: [Wannier] Regarding Band gap in DOS Stepan Tsirkin
2020/10/14 [Wannier] Regarding Band gap in DOS Ankit Sirohi
2020/10/11 Re: [Wannier] Question on " Unable to satisfy B1 with any of the first 12 shells" Jonathan Yates
2020/10/11 [Wannier] Question on " Unable to satisfy B1 with any of the first 12 shells" Li, Houchen
2020/10/04 [Wannier] More bands in DFT Bipin Lamichhane
2020/09/24 [Wannier] How to get ratio of Im/RE in the case of Spin-orbit coupling Shima Sharifi
2020/09/23 Re: [Wannier] DFT and wannier90 interpolation of band structure Soumyadeep
2020/09/23 [Wannier] DFT and wannier90 interpolation of band structure Bipin Lamichhane
2020/09/11 Re: [Wannier] wrong projection of wannier functions Poonam Kaushik
2020/09/11 Re: [Wannier] wrong projection of wannier functions Mostofi, Arash
2020/09/11 Re: [Wannier] wrong projection of wannier functions Poonam Kaushik
2020/09/10 Re: [Wannier] wrong projection of wannier functions Poonam Kaushik
2020/09/07 Re: [Wannier] Boltzwann problem order of magnitude electrical conductivity Giovanni Pizzi
2020/09/06 [Wannier] wrong projection of wannier functions Poonam Kaushik
2020/09/03 [Wannier] Boltzwann problem order of magnitude electrical conductivity Robert Benda
2020/08/31 Re: [Wannier] How to specify the projectors for each atom separately in wannier90.win file? Gautam Gurung
2020/08/31 [Wannier] How to specify the projectors for each atom separately in wannier90.win file? Mate Alex
2020/08/22 [Wannier] Error in Pw2wannier Hepsibah Priyadarshini.C
2020/08/21 Re: [Wannier] Wannier Digest, Vol 151, Issue 4 Xiangru Kong
2020/08/19 Re: [Wannier] Manuscript on WannierBerri Ivo Souza
2020/08/19 [Wannier] Manuscript on WannierBerri Stepan Tsirkin
2020/08/18 Re: [Wannier] Wannier Digest, Vol 151, Issue 3 Jae-Mo Lihm
2020/08/18 Re: [Wannier] Wannier Digest, Vol 151, Issue 3 Lorenzo Paulatto
2020/08/17 Re: [Wannier] Wannier Digest, Vol 151, Issue 3 Xiangru Kong
2020/08/17 Re: [Wannier] Is the phase of Wannier functions for plotting random? Lorenzo Paulatto
2020/08/15 [Wannier] Is the phase of Wannier functions for plotting random? Xiangru Kong
2020/08/06 [Wannier] Enquiry about the spin texture Kenan Song
2020/07/24 [Wannier] How to extract nearest neighbour information from hr.dat file of Wannier-90 Soumyadeep
2020/07/22 Re: [Wannier] Error in the wannierization Robert Peyton Cline
2020/07/22 [Wannier] Error in the wannierization sblanco

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