wannier

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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
2020/06/07 Re: [Wannier] Asymmetric value of AHC 박민규
2020/06/07 [Wannier] Asymmetric value of AHC 박민규
2020/06/01 [Wannier] Asking about how to calculate chemical potential in case of spin-polarization Ho Ngoc Nam
2020/06/01 Re: [Wannier] Stars in sum of centres 박민규
2020/06/01 Re: [Wannier] Stars in sum of centres Jesse Vaitkus
2020/06/01 Re: [Wannier] Stars in sum of centres Stepan Tsirkin
2020/06/01 [Wannier] Stars in sum of centres 박민규
2020/05/26 Re: [Wannier] Matrix elements of the Hamiltonian Robert Peyton Cline
2020/05/26 Re: [Wannier] [Posible SPAM] Re: Problem reading *.mmn file Juan Jose Melendez Martinez
2020/05/26 Re: [Wannier] Problem reading *.mmn file Stepan Tsirkin
2020/05/26 Re: [Wannier] [Posible SPAM] Re: Problem reading *.mmn file Juan Jose Melendez Martinez
2020/05/26 Re: [Wannier] Problem reading *.mmn file Giovanni Pizzi
2020/05/26 [Wannier] Matrix elements of the Hamiltonian Md. Fhokrul Islam
2020/05/26 [Wannier] Problem reading *.mmn file Juan Jose Melendez Martinez
2020/05/21 [Wannier] How to set projections block in *.win input file Zafer Kandemir
2020/05/18 Re: [Wannier] Exiting....... kmesh_get_automatic Pietro F. Fontana
2020/05/18 Re: [Wannier] Exiting....... kmesh_get_automatic Zafer Kandemir
2020/05/18 Re: [Wannier] Exiting....... kmesh_get_automatic Stepan Tsirkin
2020/05/18 [Wannier] Exiting....... kmesh_get_automatic Zafer Kandemir
2020/05/15 Re: [Wannier] Wannier Digest, Vol 148, Issue 6 Stepan Tsirkin
2020/05/13 [Wannier] Queries regarding gyrotropic module Sayantika Bhowal
2020/05/12 [Wannier] Error message "incorrect number of g-vectors extracted" when performing pw2wannier90 ddloc
2020/05/08 Re: [Wannier] Constructing Parity Operator Aleksander Bach Lorentzen
2020/05/06 Re: [Wannier] An example with tran_read_ht=.true. ? Christoph Wolf
2020/05/05 Re: [Wannier] xsf files and plotting of the Wannier f Mostofi, Arash
2020/05/05 Re: [Wannier] Wannier90 underestimating the band gap compared to my DFT result Mostofi, Arash
2020/05/05 Re: [Wannier] Constructing Parity Operator Mostofi, Arash
2020/05/05 Re: [Wannier] An example with tran_read_ht=.true. ? Mostofi, Arash
2020/05/05 [Wannier] xsf files and plotting of the Wannier f sblanco
2020/04/24 [Wannier] Wannier90 underestimating the band gap compared to my DFT result Pascal Salzbrenner
2020/04/21 Re: [Wannier] How to raise G0W0 level to GW0 level in yambo zhangkan3
2020/04/20 Re: [Wannier] How to raise G0W0 level to GW0 level in yambo Marrazzo Antimo
2020/04/17 [Wannier] The frequently occurred 'Memory Overflow' when calculating Quasi-particle energies with yambo in GW calculations zhangkan3
2020/04/16 Re: [Wannier] How to raise G0W0 level to GW0 level in yambo & the 'out of meory' problem zhangkan3
2020/04/16 [Wannier] How to raise G0W0 level to GW0 level in yambo zhangkan3
2020/04/01 [Wannier] Videos of the "Virtual Edition" Wannier90 School online on Materials Cloud Learn Giovanni Pizzi
2020/03/23 Re: [Wannier] Unit of velocities in geninterp Vahid Askarpour
2020/03/23 Re: [Wannier] Unit of velocities in geninterp Giovanni Pizzi
2020/03/20 [Wannier] Constructing Parity Operator Aleksander Bach Lorentzen
2020/03/19 [Wannier] Unit of velocities in geninterp Vahid Askarpour
2020/03/13 Re: [Wannier] School on "Wannier90 v3.0: new features and applications", 25-27 March 2020 - Virtual Edition Mostofi, Arash
2020/03/13 Re: [Wannier] Unitary property of U^{dis} 周哲弘
2020/03/09 [Wannier] Projection of wannier-function orbitals onto atomic orbitals poonam kumari
2020/03/09 Re: [Wannier] Req. uniqueness of Maximally localized Wannier functions Soumyadeep
2020/03/09 Re: [Wannier] Req. uniqueness of Maximally localized Wannier functions Nicola Marzari
2020/03/09 Re: [Wannier] Req. uniqueness of Maximally localized Wannier functions Soumyadeep
2020/03/09 Re: [Wannier] Req. uniqueness of Maximally localized Wannier functions Nicola Marzari
2020/03/08 [Wannier] Req. uniqueness of Maximally localized Wannier functions Soumyadeep
2020/03/06 [Wannier] An example with tran_read_ht=.true. ? Christoph Wolf
2020/03/05 [Wannier] Wannier90 v3.1 released (and new paper citation) Giovanni Pizzi
2020/03/03 Re: [Wannier] Unitary property of U^{dis} Hung Pham
2020/03/03 Re: [Wannier] Unitary property of U^{dis} Mostofi, Arash
2020/03/01 [Wannier] Unitary property of U^{dis} 周哲弘
2020/02/27 [Wannier] Symmetry Adopted Wannier Functions Emad Rezaei
2020/02/25 [Wannier] on the plan for providing video lectures for the upcoming W90 school H. Lee
2020/02/21 [Wannier] Psi-k 2020 (EPFL, 14-17 Sep 2020) Nicola Marzari
2020/02/14 [Wannier] (no subject) r zh
2020/02/12 [Wannier] wannier90 (VASP) for bulk systems ? MANISH KR MOHANTA
2020/02/10 Re: [Wannier] Distorted band structure of 2D MoS2 using wannier90_v_3 Raj Tiwari
2020/02/09 [Wannier] Distorted band structure of 2D MoS2 using wannier90_v_3 MANISH KR MOHANTA
2020/02/06 Re: [Wannier] SCDM Method Failing Giovanni Pizzi
2020/02/06 [Wannier] SCDM Method Failing Aleksander Bach Lorentzen
2020/01/31 [Wannier] School on "Wannier90 v3.0: new features and applications", 25-27 March 2020, Oxford UK Jonathan Yates
2020/01/30 [Wannier] wannier_ham.x :setting up the input file Poonam Kaushik
2020/01/26 [Wannier] Band_ structure_ of_ NiO Poonam Kaushik
2020/01/23 [Wannier] New paper for Wannier 3.0 published Giovanni Pizzi
2020/01/22 [Wannier] NiO band _structure_and _density _of _states Poonam Kaushik
2020/01/21 [Wannier] Band structure and density of states of Nio Poonam Kaushik
2020/01/17 [Wannier] Is it possible to do symmetry adopted wannier90 with spin-orbit coupling wannier90-3.0 S Baidya
2020/01/17 Re: [Wannier] A question based on No.23 example in wannier90 tutorial, GW calculation Antimo Marrazzo
2020/01/16 Re: [Wannier] A question based on No.23 example in wannier90 tutorial, GW calculation Antimo Marrazzo
2020/01/16 [Wannier] A question based on No.23 example in wannier90 tutorial, GW calculation 张侃
2020/01/12 Re: [Wannier] Integrals over 1 or 2 MLWF's Hung Pham
2020/01/12 [Wannier] Integrals over 1 or 2 MLWF's Cuauhtémoc Salazar