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