May 2024 Archives by author

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Starting: Thu May 2 14:21:35 CEST 2024
Ending: Fri May 31 17:44:03 CEST 2024
Messages: 108

[Wien] unit of eval in case.in2 Gavin Abo
[Wien] ERROR Iin using LDA Gavin Abo
[Wien] DOS with SOC Gary Amini
[Wien] error in 2X2X2 supercel MgO following guide Peter Blaha
[Wien] Logging output issue for parallel jobs? Peter Blaha
[Wien] Optics/x joint working only with prec 1 and NOT with prec 2. Peter Blaha
[Wien] error in x wplot -wf Peter Blaha
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Peter Blaha
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Peter Blaha
[Wien] Installation of Wien2k_23.2 Peter Blaha
[Wien] Confusion on starting prec 2 after prec 1 on the same struct file. Peter Blaha
[Wien] Error in IRelast initialization for tetragonal structure | too many arguments Peter Blaha
[Wien] Is there any format for putting the plasma frequencies? x kram failing despite running joint with switch 4 after 6. Peter Blaha
[Wien] Continuing: Non convergence of LiNiO2 Peter Blaha
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Peter Blaha
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
[Wien] Fwd: unit of eval in case.in2 Peter Blaha
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Peter Blaha
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Peter Blaha
[Wien] Mysterious errors parallel jobs Peter Blaha
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
[Wien] mixer error in lmbj calculations Peter Blaha
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Peter Blaha
[Wien] WIen2k install using Oneapi Peter Blaha
[Wien] ERROR Iin using LDA Peter Blaha
[Wien] Resuming failed/stopped x lapw1 -band Peter Blaha
[Wien] issue with balance: keyword in .machines Peter Blaha
[Wien] Spin units Peter Blaha
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Yakup Boran
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Yakup Boran
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Yakup Boran
[Wien] Spin-orbit coupling effect on band gap energy with LDA and GGA-PBE Yakup Boran
[Wien] error in 2X2X2 supercel MgO following guide Lyudmila Dobysheva
[Wien] Mysterious errors parallel jobs Lyudmila Dobysheva
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Michael Fechtelkord
[Wien] WIen2k install using Oneapi Michael Fechtelkord
[Wien] WIen2k install using Oneapi Michael Fechtelkord
[Wien] Non convergence of LiNiO2 Laurence Marks
[Wien] Continuing: Non convergence of LiNiO2 Laurence Marks
[Wien] [WIEN2k] abort of CPU core parallel jobs in NMR calculations of the current Laurence Marks
[Wien] mixer error in lmbj calculations Nestoklon Mikhail
[Wien] mixer error in lmbj calculations Nestoklon Mikhail
[Wien] Doubt regarding the inter-band velocity term from the OPTIC module. Nestoklon Mikhail
[Wien] WIen2k install using Oneapi Nestoklon Mikhail
[Wien] WIen2k install using Oneapi Nestoklon Mikhail
[Wien] Optics/x joint working only with prec 1 and NOT with prec 2. Pranjal Nandi
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Pranjal Nandi
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Pranjal Nandi
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. Pranjal Nandi
[Wien] Confusion on starting prec 2 after prec 1 on the same struct file. Pranjal Nandi
[Wien] Unable to obtain plasma frequency despite GAP =0. Pranjal Nandi
[Wien] Unable to obtain plasma frequency despite GAP =0. Pranjal Nandi
[Wien] Is there any format for putting the plasma frequencies? x kram failing despite running joint with switch 4 after 6. Pranjal Nandi
[Wien] Confusion on starting prec 2 after prec 1 on the same struct file. Mikhail Nestoklon
[Wien] Doubt regarding the inter-band velocity term from the OPTIC module. VIVEK PANDEY
[Wien] Doubt regarding the inter-band velocity term from the OPTIC module. VIVEK PANDEY
[Wien] Fermi Energy Calculation using WIEN2k Amlan Ray
[Wien] Logging output issue for parallel jobs? Straus, Daniel B
[Wien] Mysterious errors parallel jobs Straus, Daniel B
[Wien] issue with balance: keyword in .machines Straus, Daniel B
[Wien] Resuming failed/stopped x lapw1 -band Straus, Daniel B
[Wien] Spin units Straus, Daniel B
[Wien] DOS with SOC Karel Vyborny
[Wien] [EXTERNAL] DOS with SOC Zhu, Jianxin
[Wien] (no subject) shamik chakrabarti
[Wien] Installation of Wien2k_23.2 shamik chakrabarti
[Wien] Installation of Wien2k_23.2 shamik chakrabarti
[Wien] Non convergence of LiNiO2 shamik chakrabarti
[Wien] Non convergence of LiNiO2 shamik chakrabarti
[Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
[Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
[Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
[Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
[Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
[Wien] Continuing: Non convergence of LiNiO2 shamik chakrabarti
[Wien] unit of eval in case.in2 shamik chakrabarti
[Wien] unit of eval in case.in2 shamik chakrabarti
[Wien] unit of eval in case.in2 shamik chakrabarti
[Wien] Fwd: unit of eval in case.in2 shamik chakrabarti
[Wien] unit of eval in case.in2 shamik chakrabarti
[Wien] FERMI' - INTEGRATION FAILED. shamik chakrabarti
[Wien] FERMI' - INTEGRATION FAILED. shamik chakrabarti
[Wien] Error in IRelast initialization for tetragonal structure | too many arguments morteza jamal
[Wien] RAM use during band structure calculation pluto
[Wien] 回复： ERROR Iin using LDA harriron at sjtu.edu.cn
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. fabien.tran at vasp.at
[Wien] Struct file rounding errors from the output of VASP. Unable to solve after repeated attempts. fabien.tran at vasp.at
[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
[Wien] Error in IRelast initialization for tetragonal structure | too many arguments Dr. KISHOR KUMAR डॉ. किशोर कुमार
[Wien] error in 2X2X2 supercel MgO following guide 夏宇阳
[Wien] error in 2X2X2 supercel MgO following guide 夏宇阳
[Wien] ERROR Iin using LDA 夏宇阳
[Wien] WIen2k install using Oneapi 夏宇阳
[Wien] WIen2k install using Oneapi 夏宇阳
[Wien] WIen2k install using Oneapi 夏宇阳
[Wien] WIen2k install using Oneapi 夏宇阳
[Wien] WIen2k install using Oneapi 夏宇阳

Last message date: Fri May 31 17:44:03 CEST 2024
Archived on: Fri May 31 17:44:05 CEST 2024

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