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• • Re: [Wien] HELO/HDLO crashing after including multiple LOs. Please help. Peter Blaha
  • Re: [Wien] HELO/HDLO crashing after including multiple LOs. Please help. Pranjal Nandi
• [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Peter Blaha
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Peter Blaha
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Peter Blaha
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Laurence Marks
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Peter Blaha
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Gavin Abo
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Laurence Marks
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Peter Blaha
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF pluto via Wien
  • Re: [Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF Yichen Zhang
• [Wien] Unable to get ELNES of Xe single atom using TELNES3 pack. Any help would be appreciated. Pranjal Nandi
• [Wien] Enquiry: Unit of momentum values in case.mommat2 file. VIVEK PANDEY
  • Re: [Wien] Enquiry: Unit of momentum values in case.mommat2 file. Rubel, Oleg
  • Re: [Wien] Enquiry: Unit of momentum values in case.mommat2 file. VIVEK PANDEY
• [Wien] MPI Parallelisation confusion. Pranjal Nandi
  • Re: [Wien] MPI Parallelisation confusion. Gavin Abo
• [Wien] Confused between TELNES or OPTICS for EELS simulation of Xe atoms. Pranjal Nandi
  • Re: [Wien] Confused between TELNES or OPTICS for EELS simulation of Xe atoms. Fecher, Gerhard
  • Re: [Wien] Confused between TELNES or OPTICS for EELS simulation of Xe atoms. Laurence Marks
  • Re: [Wien] Confused between TELNES or OPTICS for EELS simulation of Xe atoms. Pranjal Nandi
  • Re: [Wien] Confused between TELNES or OPTICS for EELS simulation of Xe atoms. Laurence Marks
  • [Wien] slurm script pluto via Wien
  • Re: [Wien] slurm script Peter Blaha
  • Re: [Wien] slurm script pluto via Wien
  • Re: [Wien] slurm script Peter Blaha
• [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Pranjal Nandi
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Laurence Marks
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Pranjal Nandi
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Laurence Marks
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Pranjal Nandi
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Peter Blaha
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Pranjal Nandi
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Peter Blaha
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Laurence Marks
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Pranjal Nandi
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Peter Blaha
  • Re: [Wien] Re if : Expression Syntax. New installation in supercomputer. Need help. Pranjal Nandi
• [Wien] if : Expression Syntax. New installation in supercomputer. Need help. Pranjal Nandi
  • Re: [Wien] if : Expression Syntax. New installation in supercomputer. Need help. Laurence Marks
• [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Fecher, Gerhard
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Fecher, Gerhard
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Peter Blaha
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Burhan Ahmed
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Peter Blaha
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Fecher, Gerhard
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Gavin Abo
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Fecher, Gerhard
  • Re: [Wien] Charge leakage too large Fecher, Gerhard
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Fecher, Gerhard
  • Re: [Wien] Charge leakage too large Chithra M Mathew
  • Re: [Wien] Charge leakage too large Chithra M Mathew
• [Wien] Calculation fo difference of Fermi energies between tantalum and mercury telluride Amlan Ray via Wien
  • Re: [Wien] Calculation fo difference of Fermi energies between tantalum and mercury telluride Peter Blaha
• [Wien] How to do charged system calculation in WIEN2K. Pranjal Nandi
  • Re: [Wien] How to do charged system calculation in WIEN2K. Pranjal Nandi
• [Wien] Spin units Straus, Daniel B
  • Re: [Wien] Spin units Peter Blaha
• [Wien] Resuming failed/stopped x lapw1 -band Straus, Daniel B
  • Re: [Wien] Resuming failed/stopped x lapw1 -band Peter Blaha
• [Wien] issue with balance: keyword in .machines Straus, Daniel B
  • Re: [Wien] issue with balance: keyword in .machines Peter Blaha
• [Wien] WIen2k install using Oneapi 夏宇阳
  • Re: [Wien] WIen2k install using Oneapi Nestoklon Mikhail
  • Re: [Wien] WIen2k install using Oneapi 夏宇阳
  • Re: [Wien] WIen2k install using Oneapi Nestoklon Mikhail
  • Re: [Wien] WIen2k install using Oneapi 夏宇阳
  • Re: [Wien] WIen2k install using Oneapi Michael Fechtelkord via Wien
  • Re: [Wien] WIen2k install using Oneapi 夏宇阳
  • Re: [Wien] WIen2k install using Oneapi Peter Blaha
  • Re: [Wien] WIen2k install using Oneapi 夏宇阳
  • Re: [Wien] WIen2k install using Oneapi Michael Fechtelkord via Wien
  • Re: [Wien] WIen2k install using Oneapi Michael Fechtelkord via Wien
• [Wien] Doubt regarding the inter-band velocity term from the OPTIC module. VIVEK PANDEY
  • Re: [Wien] Doubt regarding the inter-band velocity term from the OPTIC module. Nestoklon Mikhail
  • Re: [Wien] Doubt regarding the inter-band velocity term from the OPTIC module. VIVEK PANDEY
• [Wien] ERROR Iin using LDA 夏宇阳
  • Re: [Wien] ERROR Iin using LDA Gavin Abo
  • Re: [Wien] ERROR Iin using LDA Peter Blaha
  • [Wien] 回复： ERROR Iin using LDA [email protected]
• [Wien] Fermi Energy Calculation using WIEN2k Amlan Ray via Wien
  • [Wien] RAM use during band structure calculation pluto via Wien
• [Wien] FERMI' - INTEGRATION FAILED. shamik chakrabarti
  • Re: [Wien] FERMI' - INTEGRATION FAILED. shamik chakrabarti
• [Wien] DOS with SOC Gary Amini
  • Re: [Wien] [EXTERNAL] DOS with SOC Zhu, Jianxin via Wien
  • Re: [Wien] DOS with SOC Karel Vyborny
• [Wien] mixer error in lmbj calculations Nestoklon Mikhail
  • Re: [Wien] mixer error in lmbj calculations Peter Blaha
  • Re: [Wien] mixer error in lmbj calculations Nestoklon Mikhail
• [Wien] Mysterious errors parallel jobs Straus, Daniel B
  • Re: [Wien] Mysterious errors parallel jobs Peter Blaha
  • Re: [Wien] Mysterious errors parallel jobs Lyudmila Dobysheva via Wien
• [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord via Wien
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Peter Blaha
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord via Wien
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Peter Blaha
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord via Wien
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord via Wien
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Peter Blaha
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord via Wien
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord via Wien
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Laurence Marks
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord via Wien
  • Re: [Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord via Wien
• [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Yakup Boran
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Yakup Boran
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Yakup Boran
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Yakup Boran
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
  • Re: [Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
• [Wien] unit of eval in case.in2 shamik chakrabarti
  • Re: [Wien] unit of eval in case.in2 shamik chakrabarti
  • Re: [Wien] unit of eval in case.in2 shamik chakrabarti
  • [Wien] Fwd: unit of eval in case.in2 shamik chakrabarti
  • Re: [Wien] Fwd: unit of eval in case.in2 Peter Blaha
  • Re: [Wien] unit of eval in case.in2 Gavin Abo
  • Re: [Wien] unit of eval in case.in2 shamik chakrabarti
• [Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
  • Re: [Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
  • Re: [Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
  • Re: [Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
  • Re: [Wien] Continuing: Non convergence of LiNiO2 Laurence Marks
  • Re: [Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
  • Re: [Wien] Continuing: Non convergence of LiNiO2 Peter Blaha
  • Re: [Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
• [Wien] Is there any format for putting the plasma frequencies? x kram failing despite running joint with switch 4 after 6. Pranjal Nandi
  • Re: [Wien] Is there any format for putting the plasma frequencies? x kram failing despite running joint with switch 4 after 6. Peter Blaha
• [Wien] Unable to obtain plasma frequency despite GAP =0. Pranjal Nandi
  • Re: [Wien] Unable to obtain plasma frequency despite GAP =0. Pranjal Nandi
• [Wien] Non convergence of LiNiO2 shamik chakrabarti
  • Re: [Wien] Non convergence of LiNiO2 shamik chakrabarti
  • Re: [Wien] Non convergence of LiNiO2 Laurence Marks
• [Wien] Confusion on starting prec 2 after prec 1 on the same struct file. Pranjal Nandi
  • Re: [Wien] Confusion on starting prec 2 after prec 1 on the same struct file. Mikhail Nestoklon via Wien
  • Re: [Wien] Confusion on starting prec 2 after prec 1 on the same struct file. Peter Blaha
• [Wien] Installation of Wien2k_23.2 shamik chakrabarti
  • Re: [Wien] Installation of Wien2k_23.2 Peter Blaha
  • Re: [Wien] Installation of Wien2k_23.2 shamik chakrabarti
• [Wien] Error in IRelast initialization for tetragonal structure | too many arguments Dr . KISHOR KUMAR डॉ . किशोर कुमार
  • [Wien] Error in IRelast initialization for tetragonal structure | too many arguments Dr . KISHOR KUMAR डॉ . किशोर कुमार
  • Re: [Wien] Error in IRelast initialization for tetragonal structure | too many arguments Peter Blaha
  • Re: [Wien] Error in IRelast initialization for tetragonal structure | too many arguments Dr . KISHOR KUMAR डॉ . किशोर कुमार
  • Re: [Wien] Error in IRelast initialization for tetragonal structure | too many arguments morteza jamal via Wien
• [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Pranjal Nandi
  • Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. fabien . tran
  • Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Pranjal Nandi
  • Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. fabien . tran
  • Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Pranjal Nandi
  • Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Peter Blaha
  • Re: [Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Peter Blaha
• [Wien] Optics/x joint working only with prec 1 and NOT with prec 2. Pranjal Nandi
  • Re: [Wien] Optics/x joint working only with prec 1 and NOT with prec 2. Peter Blaha
• [Wien] Logging output issue for parallel jobs? Straus, Daniel B
  • Re: [Wien] Logging output issue for parallel jobs? Peter Blaha
• [Wien] error in 2X2X2 supercel MgO following guide 夏宇阳
  • Re: [Wien] error in 2X2X2 supercel MgO following guide 夏宇阳
  • Re: [Wien] error in 2X2X2 supercel MgO following guide Lyudmila Dobysheva via Wien
  • Re: [Wien] error in 2X2X2 supercel MgO following guide Peter Blaha
• [Wien] error in x wplot -wf 夏宇阳
  • Re: [Wien] error in x wplot -wf Gavin Abo
  • Re: [Wien] error in x wplot -wf 夏宇阳
  • Re: [Wien] error in x wplot -wf Peter Blaha
• [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 shamik chakrabarti
  • Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 delamora
  • Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 shamik chakrabarti
  • Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 delamora
  • Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 shamik chakrabarti
  • Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 delamora
  • Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2 Gavin Abo
  • [Wien] XCrySDen 1.6 delamora
  • Re: [Wien] XCrySDen 1.6 Gavin Abo
  • [Wien] Hardness delamora
  • Re: [Wien] Hardness Peter Blaha
  • Re: [Wien] Hardness delamora
  • [Wien] magnetizatin direction in case.inso vs case.inst pluto via Wien

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