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• [Wien] Query regarding wien2k_scratch directory shamik chakrabarti
  • Re: [Wien] Query regarding wien2k_scratch directory Peter Blaha
  • Re: [Wien] Query regarding wien2k_scratch directory shamik chakrabarti
  • Re: [Wien] Query regarding wien2k_scratch directory Peter Blaha
  • Re: [Wien] Query regarding wien2k_scratch directory Tomas Kana
  • Re: [Wien] Query regarding wien2k_scratch directory shamik chakrabarti
  • Re: [Wien] Query regarding wien2k_scratch directory Tomas Kana
  • Re: [Wien] Query regarding wien2k_scratch directory Gavin Abo
• [Wien] band character plotting with eece Pavel Ondračka
  • Re: [Wien] band character plotting with eece Peter Blaha
• [Wien] Warning during x symmetry shamik chakrabarti
  • Re: [Wien] Warning during x symmetry Fecher, Gerhard
  • Re: [Wien] Warning during x symmetry Peter Blaha
• [Wien] w2web xcrysden problem Straus, Daniel B
  • Re: [Wien] w2web xcrysden problem Gavin Abo
  • Re: [Wien] w2web xcrysden problem Straus, Daniel B
• [Wien] Enquiry on the core hole method for optics. Pranjal Nandi
• [Wien] SLURM cluster issues Straus, Daniel B
  • Re: [Wien] SLURM cluster issues Peter Blaha
  • Re: [Wien] SLURM cluster issues Straus, Daniel B
• [Wien] Question of bad E(TOP) with no error 夏宇阳
  • Re: [Wien] Question of bad E(TOP) with no error Peter Blaha
  • Re: [Wien] Question of bad E(TOP) with no error 夏宇阳
  • Re: [Wien] Question of bad E(TOP) with no error Peter Blaha
  • Re: [Wien] Question of bad E(TOP) with no error 夏宇阳
  • Re: [Wien] Question of bad E(TOP) with no error Peter Blaha
• [Wien] 回复： error in exercise 6(MgO surface slab) harri...@sjtu.edu.cn
  • Re: [Wien] 回复： error in exercise 6(MgO surface slab) Peter Blaha
  • Re: [Wien] error in exercise 6(MgO surface slab) Rubel, Oleg
  • Re: [Wien] error in exercise 6(MgO surface slab) 夏宇阳
  • Re: [Wien] error in exercise 6(MgO surface slab) Rubel, Oleg
  • [Wien] 回复： error in exercise 6(MgO surface slab) harri...@sjtu.edu.cn
  • Re: [Wien] error in exercise 6(MgO surface slab) Rubel, Oleg
  • Re: [Wien] error in exercise 6(MgO surface slab) 夏宇阳
  • Re: [Wien] error in exercise 6(MgO surface slab) Peter Blaha
  • Re: [Wien] error in exercise 6(MgO surface slab) 夏宇阳
• [Wien] error in exercise 6(MgO surface slab) 夏宇阳
  • Re: [Wien] error in exercise 6(MgO surface slab) Peter Blaha
  • Re: [Wien] error in exercise 6(MgO surface slab) Lyudmila Dobysheva via Wien
• [Wien] how to choose the band indices in init_w2w of a parallel spin-polarized calculation 夏宇阳
  • Re: [Wien] how to choose the band indices in init_w2w of a parallel spin-polarized calculation Rubel, Oleg
• [Wien] Error in GGA + So noncollinear magnetic structure calculations in WIENncm Safikul Islam
• [Wien] Bug / odd behavior: Can't change some of the session information Per-Anders Glans-Suzuki
  • Re: [Wien] Bug / odd behavior: Can't change some of the session information Peter Blaha
• [Wien] Query regarding BVS shamik chakrabarti
• [Wien] Plot sp bandstructure harri...@sjtu.edu.cn
• [Wien] error in lapw1 夏宇阳
  • Re: [Wien] error in lapw1 Peter Blaha
  • Re: [Wien] error in lapw1 夏宇阳
  • Re: [Wien] error in lapw1 Peter Blaha
• [Wien] 回复： Question in optimizing the position of a ferromagnetic material harri...@sjtu.edu.cn
  • Re: [Wien] 回复： Question in optimizing the position of a ferromagnetic material Lyudmila Dobysheva via Wien
• [Wien] Question in optimizing the position of a ferromagnetic material harri...@sjtu.edu.cn
  • Re: [Wien] Question in optimizing the position of a ferromagnetic material Peter Blaha
• [Wien] Cholesky in supercell Natalia Andreeva
  • Re: [Wien] Cholesky in supercell Laurence Marks
  • Re: [Wien] Cholesky in supercell Natalia Andreeva
  • Re: [Wien] Cholesky in supercell Laurence Marks
  • Re: [Wien] Cholesky in supercell Natalia Andreeva
  • Re: [Wien] Cholesky in supercell Laurence Marks
  • Re: [Wien] Cholesky in supercell Peter Blaha
• [Wien] Compilation error of Libxc during installation of WIEN2K 23.2 Pranjal Nandi
  • Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2 Peter Blaha
  • Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2 Pranjal Nandi
  • Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2 Pranjal Nandi
• [Wien] Problem with dielectric function Hamza BFA
  • Re: [Wien] Problem with dielectric function Peter Blaha
  • Re: [Wien] Problem with dielectric function Hamza BFA
  • Re: [Wien] Problem with dielectric function Peter Blaha
  • Re: [Wien] Problem with dielectric function Hamza BFA
• [Wien] Chern Number calculation Burhan Ahmed
• [Wien] Possible reasons for not getting plasma frequency. Pranjal Nandi
• [Wien] Basic question of convergence of structure shamik chakrabarti
  • Re: [Wien] Basic question of convergence of structure Laurence Marks
  • Re: [Wien] Basic question of convergence of structure shamik chakrabarti
  • Re: [Wien] Basic question of convergence of structure shamik chakrabarti
• [Wien] Basic Question on ELNES. Pranjal Nandi
  • Re: [Wien] Basic Question on ELNES. Fecher, Gerhard
• [Wien] Verifying if the ghostbands still exists or not (no error received). Pranjal Nandi
  • Re: [Wien] Verifying if the ghostbands still exists or not (no error received). Peter Blaha
  • Re: [Wien] Verifying if the ghostbands still exists or not (no error received). Pranjal Nandi
• [Wien] Query regarding settings of Rmt*Kmax shamik chakrabarti
  • Re: [Wien] Query regarding settings of Rmt*Kmax Peter Blaha
  • Re: [Wien] Query regarding settings of Rmt*Kmax shamik chakrabarti
• [Wien] Inconsistency in kgen 巴拉比 via Wien
  • Re: [Wien] Inconsistency in kgen Peter Blaha
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen Peter Blaha
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen Peter Blaha
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen Peter Blaha
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen Peter Blaha
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen Peter Blaha
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen Peter Blaha
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen balabi via Wien
  • Re: [Wien] Inconsistency in kgen balabi via Wien
• [Wien] Requesting your help in "running qtl in parallel mode" Pranjal Nandi
  • Re: [Wien] Requesting your help in "running qtl in parallel mode" Peter Blaha
  • Re: [Wien] Requesting your help in "running qtl in parallel mode" Gavin Abo
• [Wien] Error in optimization Neetu Malik
  • Re: [Wien] Error in optimization Gavin Abo
  • Re: [Wien] Error in optimization Peter Blaha
• [Wien] Unable to see Li K edges in ELOSS file. Kindly guide. Pranjal Nandi
  • Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide. Peter Blaha
  • Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide. Pranjal Nandi
  • Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide. Peter Blaha
  • Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide. Pranjal Nandi
  • Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide. Peter Blaha
  • Re: [Wien] Unable to see Li K edges in ELOSS file. Kindly guide. Pranjal Nandi
• [Wien] total energy Douglas Barlow via Wien
  • Re: [Wien] total energy Karel Vyborny
• [Wien] DFTD4 Laurence Marks
  • Re: [Wien] DFTD4 Laurence Marks
• [Wien] BoltzTrap-electronic thermal conductivity Bara abujafar via Wien
  • Re: [Wien] BoltzTrap-electronic thermal conductivity Gavin Abo
• [Wien] Few questions about onsite hybrids and so Pavel Ondračka
  • Re: [Wien] Few questions about onsite hybrids and so Laurence Marks
  • Re: [Wien] Few questions about onsite hybrids and so Pavel Ondračka
  • Re: [Wien] Few questions about onsite hybrids and so Laurence Marks
  • Re: [Wien] Few questions about onsite hybrids and so Pavel Ondračka
  • Re: [Wien] Few questions about onsite hybrids and so Peter Blaha
  • Re: [Wien] Few questions about onsite hybrids and so Pavel Ondračka
  • [Wien] Wannier pluto via Wien
  • Re: [Wien] Wannier Rubel, Oleg
  • Re: [Wien] Wannier Peter Blaha
  • Re: [Wien] Wannier pluto via Wien
  • Re: [Wien] Wannier Peter Blaha
  • Re: [Wien] Wannier pluto via Wien
  • Re: [Wien] Wannier Fecher, Gerhard
  • Re: [Wien] Wannier pluto via Wien
  • Re: [Wien] Wannier Mikhail Nestoklon via Wien
• [Wien] Error-Missing Header evren görkem özdemir
  • Re: [Wien] Error-Missing Header Gavin Abo
• [Wien] Error in HF calculation shamik chakrabarti
  • Re: [Wien] Error in HF calculation fabien . tran
  • Re: [Wien] Error in HF calculation shamik chakrabarti
• [Wien] DOS with Spin-orbit coupling susanta mohanta
  • Re: [Wien] DOS with Spin-orbit coupling Peter Blaha
  • Re: [Wien] DOS with Spin-orbit coupling susanta mohanta
• [Wien] NbNiO3 antiferromagnetic delamora
  • Re: [Wien] NbNiO3 antiferromagnetic Peter Blaha
  • Re: [Wien] NbNiO3 antiferromagnetic delamora
  • [Wien] Graphene + M delamora
  • Re: [Wien] Graphene + M Laurence Marks
  • Re: [Wien] Graphene + M delamora
  • Re: [Wien] Graphene + M Laurence Marks
  • [Wien] How to assign kz to slab bands? pluto via Wien
  • Re: [Wien] How to assign kz to slab bands? Peter Blaha
  • Re: [Wien] How to assign kz to slab bands? pluto via Wien
  • Re: [Wien] How to assign kz to slab bands? Peter Blaha
  • Re: [Wien] How to assign kz to slab bands? Rubel, Oleg
  • [Wien] Graphene + M delamora
  • Re: [Wien] Graphene + M Laurence Marks
  • Re: [Wien] Graphene + M Lyudmila Dobysheva via Wien
  • [Wien] ABNiO_4 delamora
  • Re: [Wien] ABNiO_4 Laurence Marks
  • Re: [Wien] ABNiO_4 Peter Blaha
  • Re: [Wien] ABNiO_4 delamora
• [Wien] Sub: Regarding determination of optical constants and their plotting by using wien2k K.S. Sharma
  • Re: [Wien] Sub: Regarding determination of optical constants and their plotting by using wien2k Peter Blaha
• [Wien] WIEN2k fails to run: "TiC.clmsum no such file" Douglas Barlow via Wien
  • Re: [Wien] WIEN2k fails to run: "TiC.clmsum no such file" Peter Blaha
  • Re: [Wien] WIEN2k fails to run: "TiC.clmsum no such file" Karel Vyborny
• [Wien] .clmsum file question Douglas Barlow via Wien
  • Re: [Wien] .clmsum file question Peter Blaha
• [Wien] Empty orbital band character in case.qtl ANDRES GOMEZ BASTIDAS
  • Re: [Wien] Empty orbital band character in case.qtl Peter Blaha
• [Wien] Intels Oneapi 2024: Compiler bug ? Peter Blaha
  • Re: [Wien] Intels Oneapi 2024: Compiler bug ? Jan Doumont
  • Re: [Wien] Intels Oneapi 2024: Compiler bug ? Jan Doumont
  • Re: [Wien] Intels Oneapi 2024: Compiler bug ? Laurence Marks
  • Re: [Wien] Intels Oneapi 2024: Compiler bug ? Michael Fechtelkord via Wien
  • Re: [Wien] Intels Oneapi 2024: Compiler bug ? Laurence Marks
  • Re: [Wien] Intels Oneapi 2024: Compiler bug ? Peter Blaha
• [Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom Michael Fechtelkord via Wien
  • Re: [Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom Peter Blaha
  • [Wien] Atomic muffin tin potential output pluto via Wien
  • Re: [Wien] Atomic muffin tin potential output Peter Blaha
  • Re: [Wien] Atomic muffin tin potential output Fecher, Gerhard
  • Re: [Wien] NMR Chemical Shift NMR-LOs - here: possibilty to focus on more then one atom Michael Fechtelkord via Wien
• [Wien] Slurm with omp/mpi Laurence Marks
• [Wien] lapw1.def failed shamik chakrabarti
  • Re: [Wien] lapw1.def failed Lyudmila Dobysheva via Wien
  • Re: [Wien] lapw1.def failed Fecher, Gerhard
  • Re: [Wien] lapw1.def failed shamik chakrabarti
  • Re: [Wien] lapw1.def failed Gavin Abo
• [Wien] Slurm + Intel impi Laurence Marks
• [Wien] effective mass calculation using mstar Burhan Ahmed
  • Re: [Wien] effective mass calculation using mstar Rubel, Oleg
  • Re: [Wien] effective mass calculation using mstar Rubel, Oleg
  • Re: [Wien] effective mass calculation using mstar Burhan Ahmed
  • Re: [Wien] effective mass calculation using mstar Rubel, Oleg
  • Re: [Wien] effective mass calculation using mstar Burhan Ahmed
• [Wien] [EXTERNAL] Re: YCo5 magnetic anisotropy calculations with GGA+U on Co Peter Blaha

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