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