Messages by Date
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2024/08/26
[Wannier] calculate the Born effective charges in BaTiO3
Ming Lei
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2024/07/16
[Wannier] Antw: Wannier Digest, Vol 194, Issue 2 (automatic reply: out of office)
Nicki Hinsche
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2024/07/15
[Wannier] Convergence criterion of maximally localized Wannier function.
임용식
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2024/07/09
[Wannier] Initial projections for 2pz orbitals in Wannier90
mliud...@student.ubc.ca
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2024/06/21
Re: [Wannier] benzene.mmn has not the right number of bands
Jerome Jackson
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2024/06/19
[Wannier] benzene.mmn has not the right number of bands
wangzongyi
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2024/06/18
[Wannier] problem with memory in pe2wannier90.x
Ireneusz Buganski
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2024/06/18
Re: [Wannier] Unit of plotted WF / Normalisation of plotted WF
Mostofi, Arash
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2024/06/18
Re: [Wannier] How to select projections?
Mostofi, Arash
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2024/06/18
[Wannier] about mp_grid and berry_kmesh
Bhargab Kakati
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2024/06/18
[Wannier] How to select projections?
wangzongyi
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2024/06/12
[Wannier] Unit of plotted WF / Normalisation of plotted WF
alexander.rehn
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2024/06/07
Re: [Wannier] Centre of Wannier functions
李滕辉
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2024/06/07
Re: [Wannier] Centre of Wannier functions
Giovanni Pizzi
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2024/06/07
[Wannier] Centre of Wannier functions
李滕辉
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2024/06/06
[Wannier] Dipole correction in Wannier90
Stefan Velja
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2024/06/06
[Wannier] periodicity of Mmn in the Brillouin zone
marcin . kurpas
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2024/06/03
[Wannier] SIESTA with wannier90 *.nnkp
Jigneshkumar Barot
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2024/05/08
[Wannier] Disentanglement Convergence Criteria and Wannierization Quality
wenusaras
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2024/04/23
[Wannier] Making changes in output hopping parameter and onsite energy
Asif Ali 1810506
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2024/04/22
[Wannier] MPI compilation issue on fedora
wenusaras
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2024/04/17
[Wannier] Error in postw90.x when calculate the complex optical conductivity
???????? ????
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2024/04/11
[Wannier] [Wannier90] initial projections
wenusaras
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2024/04/08
[Wannier] error in wannier90.x
夏宇阳
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2024/03/19
Re: [Wannier] Abinit interface to Wannier90 code for spinor wave functions
Giovanni Pizzi
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2024/03/14
Re: [Wannier] Wannier90 and GPU
Nicola Marzari
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2024/03/14
[Wannier] Wannier90 and GPU
Bhargab Kakati
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2024/03/09
[Wannier] Abinit interface to Wannier90 code for spinor wave functions
Shima Sharifi (Tyndall)
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2024/03/03
[Wannier] Regarding open_grid.x
wenusaras
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2024/02/29
[Wannier] Mismatch in bands path vs dft calculation
Karkee, Rijan
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2024/02/29
Re: [Wannier] how to find out the projection used in SCDM method
Giovanni Pizzi
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2024/02/29
[Wannier] how to find out the projection used in SCDM method
Bhargab Kakati
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2024/02/08
[Wannier] Spin berry curvature for each spin separately
Souren Adhikary
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2024/02/08
[Wannier] Time taken for Wannier90 calculation
Akhil g.nair
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2024/02/05
[Wannier] Error in w90_wannier90_readwrite_read: mismatch
Karkee, Rijan
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2024/02/02
[Wannier] Is the berry curvature printed in Wannier gauge in postw90?
Vahid Askarpour
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2024/01/06
Re: [Wannier] Postw90 and Berry curvature origin
Vahid Askarpour
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2024/01/06
Re: [Wannier] Postw90 and Berry curvature origin
David Vanderbilt
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2024/01/03
[Wannier] Postw90 and Berry curvature origin
Vahid Askarpour
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2023/11/11
[Wannier] seg fault during wannier_setup call in library mode
Jacopo Simoni
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2023/11/11
Re: [Wannier] Finding Berry curvature in BZ
Vahid Askarpour
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2023/11/11
Re: [Wannier] Finding Berry curvature in BZ
Stepan Tsirkin
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2023/11/09
Re: [Wannier] kslice Matplotlib griddata error
Vahid Askarpour
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2023/11/09
Re: [Wannier] kslice Matplotlib griddata error
Bhargab Kakati
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2023/11/09
[Wannier] kslice Matplotlib griddata error
Vahid Askarpour
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2023/11/08
Re: [Wannier] k-gradient implementation
Lun Yue
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2023/11/07
Re: [Wannier] k-gradient implementation
Junfeng Qiao
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2023/11/06
[Wannier] Finding Berry curvature in BZ
Vahid Askarpour
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2023/11/06
Re: [Wannier] k-gradient implementation
Lun Yue
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2023/11/04
Re: [Wannier] k-gradient implementation
Jonathan Yates
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2023/11/03
Re: [Wannier] k-gradient implementation
Nicola Marzari
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2023/11/03
[Wannier] k-gradient implementation
Lun Yue
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2023/11/03
[Wannier] Density matrix in Wannier basis
Jacopo Simoni
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2023/11/01
[Wannier] Help with spin up down band structure with spin orbit coupling
Malcolm Jardine
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2023/10/31
Re: [Wannier] 回复: Query about wannier90 calculations on disordered supercell
Nicola Marzari
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2023/10/31
Re: [Wannier] 回复: Query about wannier90 calculations on disordered supercell
Mouyang Cheng
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2023/10/31
Re: [Wannier] 回复: Query about wannier90 calculations on disordered supercell
Stepan Tsirkin
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2023/10/27
Re: [Wannier] Query about wannier90 calculations on disordered supercell
Stepan Tsirkin
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2023/10/25
[Wannier] Query about wannier90 calculations on disordered supercell
Mouyang Cheng
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2023/10/19
[Wannier] VASP + wannier90 interface unenable to exclude bands for the calculation
Ajay Partap Singh Rana
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2023/10/17
[Wannier] choice of kslice vectors in the BZ in example-18 of wannier90
Bhargab Kakati
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2023/08/23
[Wannier] Spin Down Channel Trapped in Local Minimum
Patrick Taylor
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2023/08/08
[Wannier] Trouble getting symmetry adapted Wannier functions to converge
Sink, Joe R
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2023/08/04
Re: [Wannier] Trouble with kmesh/ bvectors
Jonathan Yates
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2023/08/02
[Wannier] Can we calculate Topological Hall Effect (THE) in wannier90?
Bhargab Kakati
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2023/08/02
[Wannier] gamma_only= true - wannier90.mmn has not the right number of nearest neighbours
Mohammad Sadegh Talezadehlari
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2023/07/31
[Wannier] [SPAM] postw90.x gets stucked while reading Distance to Nearest-Neighbour Shells
Bhargab Kakati
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2023/07/25
[Wannier] comparing QE and Wannier bands
Adam Michalchuk
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2023/07/17
[Wannier] [SPAM] significant discrepancy in wannier90 interpolated band structure and DFT band structure
Bhargab Kakati
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2023/07/11
[Wannier] discrepancy in wannier90 interpolated bandstructure and DFT bandstructure
Bhargab Kakati
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2023/07/07
[Wannier] Output abnormally
庞瑞
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2023/07/05
[Wannier] executing wannier90.x in parallel: Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Simon Imanuel Rombauer
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2023/06/16
Re: [Wannier] Hermiticity of Berry potential matrix
Lun Yue
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2023/06/05
[Wannier] Overlap matrix between wannier function
Dongkyu Lee
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2023/06/04
Re: [Wannier] Hermiticity of Berry potential matrix
David Vanderbilt
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2023/05/30
[Wannier] Hermiticity of Berry potential matrix
Lun Yue
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2023/04/26
Re: [Wannier] No seedname_u.mat output + segmentation fault
Payden Brown
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2023/04/25
[Wannier] No seedname_u.mat output + segmentation fault
Payden Brown
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2023/04/05
[Wannier] Wannier Developer Meeting
Jerome Jackson
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2023/04/05
Re: [Wannier] wannier90.amn has not the right number of projections
Mostofi, Arash
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2023/04/05
[Wannier] wannier90.amn has not the right number of projections
Mohammad Sadegh Talezadehlari
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2023/04/02
[Wannier] error reading the .snn file
Elio Physics
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2023/03/28
[Wannier] help
ilhan.yavuz
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2023/02/09
Re: [Wannier] Mismatch in kpt_latt vs. Non-symmetric k-point neighbour
Vahid Askarpour
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2023/02/09
[Wannier] Mismatch in kpt_latt vs. Non-symmetric k-point neighbour
Vahid Askarpour
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2023/01/26
Re: [Wannier] Integrals over 1 or 2 MLWF's
elchatz
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2023/01/12
Re: [Wannier] Direct Lattice Mismatch
아리담싼니얼
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2022/11/21
[Wannier] hamiltonian_wigner_seitz: error
zhouchao
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2022/11/15
Re: [Wannier] SCDM-k method and centering of WFs
Giovanni Pizzi
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2022/11/07
[Wannier] SCDM-k method and centering of WFs
Marco Marino
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2022/10/01
[Wannier] Berry connection.
Thi Xuan Diem Dang
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2022/09/28
[Wannier] Wannier functions on the IBZ
Monteiro Campos de Melo, P.M. (Pedro)
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2022/09/03
[Wannier] Fermi velocity calculation
Surasree Sadhukhan
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2022/07/27
[Wannier] Wannier90 Post Processing with VASP
Francis Coen
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2022/07/19
[Wannier] SHC calculation issue
Park, In Jun
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2022/07/01
[Wannier] Problem regarding Wannier90 Disentanglement
Surasree Sadhukhan
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2022/06/28
[Wannier] testing problem during installation of software
Jingjing Yu
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2022/06/04
Re: [Wannier] Mismatch in BoltzTrap and Boltzwann results
Rakshanda Dhawan
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2022/06/03
[Wannier] Fwd: Mismatch in BoltzTrap and Boltzwann results
Rakshanda Dhawan
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2022/05/16
[Wannier] Nb Phonon and Electron Band oscillatory Wannier Interpolation
Bander Linjawi
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2022/04/26
[Wannier] Question: Hermition Issue [ wannier90_r.dat ]
Iryan Na
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2022/04/22
Re: [Wannier] Discrepancy between Wannier90 and DFT band structures
Azin Kazemi Moridani
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2022/04/21
Re: [Wannier] Wannier90 library developments
Mostofi, Arash
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2022/04/16
[Wannier] symmetry adapted wannier function for MoS2
dd
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2022/04/14
Re: [Wannier] Discrepancy between Wannier90 and DFT band structures
Jonathan Yates
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2022/04/14
[Wannier] Discrepancy between Wannier90 and DFT band structures
Azin Kazemi Moridani
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2022/04/06
[Wannier] About use of local axis
Shishir Pandey
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2022/04/04
[Wannier] Negative value of mu during SCDM method ?
saramoh
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2022/03/31
[Wannier] overlap and KS Ham matrix in MLWF basis
Li Wei
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2022/03/21
Re: [Wannier] Compiling wannier90 on macosx with arm64 architecture
Maksim Borovkov
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2022/03/21
Re: [Wannier] Compiling wannier90 on macosx with arm64 architecture
Jerome Jackson - STFC UKRI
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2022/03/21
Re: [Wannier] Compiling wannier90 on macosx with arm64 architecture
Maksim Borovkov
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2022/03/21
Re: [Wannier] Compiling wannier90 on macosx with arm64 architecture
Jerome Jackson - STFC UKRI
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2022/03/21
[Wannier] Compiling wannier90 on macosx with arm64 architecture
Maksim Borovkov
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2022/03/20
[Wannier] connection elements
Roozbeh Anvari
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2022/03/15
[Wannier] From wien2wannier to postw90.x
Marcelo Barbosa
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2022/01/28
[Wannier] Wannier90 library developments
Mostofi, Arash
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2022/01/21
[Wannier] Issue with wannier90. SHC calculations
SHUBHAM PATEL
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2021/12/20
[Wannier] Berry Curvature Calculation with the Interface between Vasp and Wannier90
Kenan Song
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2021/11/30
[Wannier] Request for clarification on the units of deleig
Vahid Askarpour
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2021/10/21
[Wannier] Postdoc position on the development and application of Wannier-function methods (San Sebastian, Spain)
Stepan Tsirkin
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2021/10/15
[Wannier] Wannier90_Gyrotropic Module_Unit of gamma in NOA
Md Roknuzzaman
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2021/10/06
Re: [Wannier] Errors when using wannier90 interface with VASP
Jonathan Yates
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2021/10/05
[Wannier] Errors when using wannier90 interface with VASP
邱 国涛
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2021/10/05
[Wannier] Two posdoctoral openings - Wannier/Hubbard/Koopmans
Nicola Marzari
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2021/09/21
[Wannier] representing the xsf orbitals with a shift
Fabrizio Cossu
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2021/09/13
[Wannier] Projection onto spin-orbit coupled basis
Karunya Shirali
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2021/09/12
[Wannier] Query regarding Berry curvatures for conduction and valence bands
Parrydeep Kaur
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2021/09/10
[Wannier] [RE]Re: definition of zaxis
Fabrizio Cossu
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2021/09/08
Re: [Wannier] definition of zaxis
Mostofi, Arash
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2021/09/06
[Wannier] Visualizing Wannier Functions in VESTA
Alpin Novianus
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2021/09/05
[Wannier] definition of zaxis
Fabrizio Cossu
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2021/09/03
[Wannier] On breaking the time-reversal symmetry of the Hamiltonian
氏家勇
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2021/08/22
[Wannier] Symmetry-Adapted Wannier Functions with Spin-Orbit Interaction
Shima Sharifi
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2021/08/15
[Wannier] Unable to Disentangle Despite Correct Projections
Truman Ng Yu
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2021/08/09
[Wannier] Question: The matrix of tight-bounding parameters is not Hermitian
Lithium
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2021/07/20
[Wannier] Regarding 'surface card' for input card
Debasish (P20PH019)
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2021/07/12
[Wannier] Problems with the kslice module
氏家勇
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2021/07/09
Re: [Wannier] interband matrix elements of velocity operator in geninterp.f90
Ivo Souza
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2021/07/08
[Wannier] interband matrix elements of velocity operator in geninterp.f90
Sophie Beck
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2021/07/08
[Wannier] Calculation of kslice for example 17
氏家勇
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2021/06/28
[Wannier] Use of shifted ab initio k-grids
Stepan Tsirkin
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2021/06/25
Re: [Wannier] Question about the pseudopotential issue supported by wannier90
Nicola Marzari
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2021/06/25
[Wannier] [Fwd: Projected Band structure]
Mayuri Bora
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2021/06/25
[Wannier] Question about the pseudopotential issue supported by wannier90
fang Opps
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2021/06/23
[Wannier] Projected Band structure
Mayuri Bora
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2021/06/16
Re: [Wannier] Queries regarding Berry curvature dipole
Stepan Tsirkin
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2021/06/16
[Wannier] Queries regarding Berry curvature dipole
Sayantika Bhowal
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2021/06/07
Re: [Wannier] [SUSPECT ATTACHMENT REMOVED] SCDM error- No Gamma point found
Stepan Tsirkin
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2021/06/07
[Wannier] [SUSPECT ATTACHMENT REMOVED] SCDM error- No Gamma point found
Roxana Morton
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2021/06/02
Re: [Wannier] Error 144, wrong number of kpoints
Mostofi, Arash
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2021/06/02
Re: [Wannier] Error 144, wrong number of kpoints
Schön , Carl-Friedrich
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2021/06/01
Re: [Wannier] Error 144, wrong number of kpoints
Alpin Novianus
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2021/06/01
[Wannier] Error 144, wrong number of kpoints
Schön , Carl-Friedrich
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2021/06/01
[Wannier] mailing list
ETHEM AKTURK
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2021/05/26
[Wannier] Different lattice parameters for wave functions using DFT and Wannier functions
Payal Wadhwa
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2021/05/24
[Wannier] Facing problem in calculating projected DOS using Wannier90
Payal Wadhwa
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2021/05/20
Re: [Wannier] Problem in getting the wannier function in hexagonal BN mono layer.
Stepan Tsirkin
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2021/05/13
[Wannier] Available examples for antiferromagnetic system?
Alpin Novianus
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2021/05/10
[Wannier] Fermi Energy Shift in the Band Structure
Truman Ng Yu
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2021/05/03
Re: [Wannier] How to convert the unit of spin Hall conductivity from "(hbar/e)*S/cm" to "e2/h"?
Junfeng Qiao
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2021/05/03
Re: [Wannier] parallel computing for plotting MLWFs
Giovanni Pizzi
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2021/05/03
Re: [Wannier] How to convert the unit of spin Hall conductivity from "(hbar/e)*S/cm" to "e2/h"?
Junfeng Qiao
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2021/05/02
[Wannier] parallel computing for plotting MLWFs
Shima Sharifi
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2021/05/02
[Wannier] How to convert the unit of spin Hall conductivity from "(hbar/e)*S/cm" to "e2/h"?
Abid Rehman
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2021/04/21
[Wannier] Wannier90 spin basis
Iñigo Robredo
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2021/04/20
Re: [Wannier] Error in Wannier90: kmesh_get: something wrong, found too many nearest neighbours
Soumyadeep
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2021/04/18
Re: [Wannier] Error in Wannier90: kmesh_get: something wrong, found too many nearest neighbours
Jonathan Yates
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2021/04/18
[Wannier] error in wannier functions results for the specified projection orbitals
刘乐雨
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2021/04/03
Re: [Wannier] Enquiry about the Failure in Wannierization Calculation
Kenan Song
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2021/04/01
Re: [Wannier] Enquiry about the Failure in Wannierization Calculation
Dominik Gresch
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2021/04/01
Re: [Wannier] Enquiry about the Failure in Wannierization Calculation
Kenan Song
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2021/04/01
Re: [Wannier] Enquiry about the Failure in Wannierization Calculation
hoangminh nguyenduy
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2021/04/01
Re: [Wannier] Enquiry about the Failure in Wannierization Calculation
Kenan Song
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2021/04/01
Re: [Wannier] Enquiry about the Failure in Wannierization Calculation
Stepan Tsirkin
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2021/04/01
[Wannier] Enquiry about the Failure in Wannierization Calculation
Kenan Song
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2021/03/25
Re: [Wannier] kmesh_get: something wrong, found too many nearest neighbours
Mostofi, Arash
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2021/03/25
[Wannier] I have a question for postw90 dE/dk problem.
대학원 물리학과
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2021/03/24
[Wannier] kmesh_get: something wrong, found too many nearest neighbours
Hoang Minh Nguyen Duy
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2021/03/19
[Wannier] Bands color for Berry curvature calculations
Sotiris Fragkos
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2021/03/10
[Wannier] Vanderbilt and Resta online lectures - CECAM-MARVEL "Classics in molecular and materials modelling"
Nicola Marzari
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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
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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
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2021/03/02
Re: [Wannier] Deducing weight of the Wannier function.
elchatz
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2021/03/01
[Wannier] Fwd: MPI version large systems
H. Lee
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2021/03/01
Re: [Wannier] Deducing weight of the Wannier function.
Stepan Tsirkin
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2021/03/01
[Wannier] Deducing weight of the Wannier function.
elchatz
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2021/02/26
Re: [Wannier] MPI version large systems
Jonathan Backman
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2021/02/26
Re: [Wannier] MPI version large systems
Jackson, Jerome (STFC,DL,SC)
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2021/02/26
[Wannier] MPI version large systems
Jonathan Backman
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2021/02/24
Re: [Wannier] TiO2
Iurii TIMROV
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2021/02/24
Re: [Wannier] TiO2
박민규
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2021/02/24
[Wannier] TiO2
Iurii TIMROV
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2021/02/20
[Wannier] What information can we see from viewing the MLWFNs by xcrysden?
zhangkan3
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2021/02/17
Re: [Wannier] How to calculate the Berry curvature in 3D density-plot like view instead of 2D line curve
Stepan Tsirkin
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2021/02/17
[Wannier] DOS and PDOS calculations
zhangkan3
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2021/02/16
[Wannier] [Symmetry-adapted Wannier functions] symmetrize_ukirr: not converged
Ming Lei
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2021/02/16
[Wannier] How to calculate the Berry curvature in 3D density-plot like view instead of 2D line curve
Abid Rehman
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2021/02/16
[Wannier] Parallel Installation of postw90.x?
Stephen Zhang
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2021/02/09
[Wannier] error in pw2wannier90.x run
Mahyar Servati