wien

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2023/04/26 [Wien] [SPAM?] Re: same k vector, different eigenvectors 曹迎迎
2023/04/25 Re: [Wien] [SPAM?] Re: [SPAM?] same k vector, different eigenvectors Peter Blaha
2023/04/25 [Wien] [SPAM?] Re: [SPAM?] same k vector, different eigenvectors 曹迎迎
2023/04/25 Re: [Wien] Convergence Problem Laurence Marks
2023/04/25 Re: [Wien] Convergence Problem Peter Blaha
2023/04/25 [Wien] Convergence Problem Hülya Gürçay
2023/04/24 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Rubel, Oleg
2023/04/23 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Laurence Marks
2023/04/23 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Rubel, Oleg
2023/04/20 Re: [Wien] shell script issue Laurence Marks
2023/04/20 Re: [Wien] shell script issue Peter Blaha
2023/04/20 Re: [Wien] [SPAM?] same k vector, different eigenvectors Peter Blaha
2023/04/20 [Wien] shell script issue pluto via Wien
2023/04/20 [Wien] [SPAM?] same k vector, different eigenvectors 曹迎迎 via Wien
2023/04/18 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Gavin Abo
2023/04/18 Re: [Wien] Problem running fold2bloch interface with wien2k_17 Rubel, Oleg
2023/04/18 [Wien] Problem running fold2bloch interface with wien2k_17 DibyaR Prakash
2023/04/17 Re: [Wien] DMFT Gavin Abo
2023/04/17 Re: [Wien] DMFT delamora via Wien
2023/04/15 Re: [Wien] Wien2k access outside local area network Chithra M Mathew
2023/04/15 Re: [Wien] Wien2k access outside local area network Laurence Marks
2023/04/14 Re: [Wien] Wien2k access outside local area network Chithra M Mathew
2023/04/14 Re: [Wien] Wien2k access outside local area network Pavel Ondračka
2023/04/14 [Wien] Wien2k access outside local area network Chithra M Mathew
2023/04/12 [Wien] Calculation of flourescence spectra David Holec
2023/03/31 Re: [Wien] LDA+U delamora
2023/03/31 Re: [Wien] LDA+U Peter Blaha
2023/03/31 [Wien] LDA+U delamora
2023/03/31 [Wien] LDA+U delamora
2023/03/30 Re: [Wien] w2web fat band plortting does not work with limited energy range in case.inq Lyudmila Dobysheva via Wien
2023/03/30 Re: [Wien] w2web fat band plortting does not work with limited energy range in case.inq Lyudmila Dobysheva via Wien
2023/03/28 Re: [Wien] phonon_analyse Peter Blaha
2023/03/28 [Wien] phonon_analyse Hamza Bouafia
2023/03/27 Re: [Wien] High symmetry points of Graphene shamik chakrabarti
2023/03/27 [Wien] High symmetry points of Graphene shamik chakrabarti
2023/03/27 Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Peter Blaha
2023/03/27 Re: [Wien] w2web fat band plortting does not work with limited energy range in case.inq Peter Blaha
2023/03/26 Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Brian Lee
2023/03/26 Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Brian Lee
2023/03/26 [Wien] w2web fat band plortting does not work with limited energy range in case.inq pluto via Wien
2023/03/25 Re: [Wien] XCrySDen Version: 1.6.2 Gavin Abo
2023/03/25 Re: [Wien] XCrySDen Version: 1.6.2 Peter Blaha
2023/03/24 Re: [Wien] XCrySDen Version: 1.6.2 delamora
2023/03/24 [Wien] XCrySDen Version: 1.6.2 delamora
2023/03/23 Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Peter Blaha
2023/03/23 [Wien] [SPAM?] Re: Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Laurence Marks
2023/03/23 [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel Brian Lee
2023/03/21 Re: [Wien] Wien post from pascal.boulet Peter Blaha
2023/03/21 Re: [Wien] Limit the energy range for QTL band character calculation Peter Blaha
2023/03/20 Re: [Wien] Limit the energy range for QTL band character calculation pluto via Wien
2023/03/20 [Wien] Limit the energy range for QTL band character calculation pluto via Wien
2023/03/20 Re: [Wien] Wien post from pascal.boulet pboulet
2023/03/19 Re: [Wien] case.almblm along used-defined quantization axis Peter Blaha
2023/03/19 Re: [Wien] case.almblm along used-defined quantization axis pluto via Wien
2023/03/18 Re: [Wien] case.almblm along used-defined quantization axis Peter Blaha
2023/03/18 [Wien] case.almblm along used-defined quantization axis pluto via Wien
2023/03/18 Re: [Wien] DOS is coming as 0 in .txt filles shamik chakrabarti
2023/03/18 [Wien] DOS is coming as 0 in .txt filles shamik chakrabarti
2023/03/17 [Wien] compiling the WIEN2k 23.1 version delamora
2023/03/16 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Peter Blaha
2023/03/16 [Wien] Fwd: Wien post from pascal.boulet Peter Blaha
2023/03/15 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Tim Williams via Wien
2023/03/15 [Wien] [SPAM?] Re: illegal character: N in optimize job Laurence Marks
2023/03/15 Re: [Wien] illegal character: N in optimize job Peter Blaha
2023/03/15 [Wien] illegal character: N in optimize job pboulet
2023/03/15 [Wien] i7-13700K benchmarks pluto via Wien
2023/03/15 Re: [Wien] Lu Karel Vyborny
2023/03/15 Re: [Wien] Difference between "x lapw2 -qtl" and "x qtl" pluto via Wien
2023/03/15 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Peter Blaha
2023/03/15 Re: [Wien] Difference between "x lapw2 -qtl" and "x qtl" Peter Blaha
2023/03/14 Re: [Wien] Difference between "x lapw2 -qtl" and "x qtl" Rubel, Oleg
2023/03/14 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Tim Williams via Wien
2023/03/14 [Wien] Difference between "x lapw2 -qtl" and "x qtl" pluto via Wien
2023/03/14 Re: [Wien] compiling the WIEN2k 23.1 version fabien . tran
2023/03/14 [Wien] [SPAM?] Re: compiling the WIEN2k 23.1 version Laurence Marks
2023/03/14 [Wien] compiling the WIEN2k 23.1 version delamora
2023/03/13 Re: [Wien] compiling the WIEN2k 23.1 version Laurence Marks
2023/03/13 [Wien] compiling the WIEN2k 23.1 version delamora
2023/03/09 Re: [Wien] XSPEC by using HF and TB-mBJ shamik chakrabarti
2023/03/09 Re: [Wien] XSPEC by using HF and TB-mBJ Peter Blaha
2023/03/09 [Wien] XSPEC by using HF and TB-mBJ shamik chakrabarti
2023/03/09 Re: [Wien] SEVERE BUG in WIEN2k_23.1 Peter Blaha
2023/03/08 Re: [Wien] SEVERE BUG in WIEN2k_23.1 Yun Yiu
2023/03/07 [Wien] SEVERE BUG in WIEN2k_23.1 Peter Blaha
2023/03/07 Re: [Wien] compiling the WIEN2k 23.1 version Peter Blaha
2023/03/06 [Wien] compiling the WIEN2k 23.1 version delamora
2023/03/05 Re: [Wien] telnes error Peter Blaha
2023/03/05 [Wien] telnes error Tim Williams via Wien
2023/03/05 Re: [Wien] Bader charge analysis Peter Blaha
2023/03/05 Re: [Wien] Bader charge analysis shamik chakrabarti
2023/03/05 Re: [Wien] Bader charge analysis Peter Blaha
2023/03/04 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Peter Blaha
2023/03/04 Re: [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Laurence Marks
2023/03/04 [Wien] 'FERMI' - INTEGRATION FAILED lapw2 error Timothy Williams via Wien
2023/03/03 [Wien] Bader charge analysis shamik chakrabarti
2023/03/02 [Wien] [SPAM?] Re: mixer error Laurence Marks
2023/03/02 [Wien] mixer error Tim Williams via Wien
2023/02/27 Re: [Wien] Finding the right plotting window for Wannier functions Rubel, Oleg
2023/02/27 [Wien] Finding the right plotting window for Wannier functions Brandon Gunn via Wien
2023/02/26 Re: [Wien] Whether XANES can be simulated using Hybrid DFT Peter Blaha
2023/02/26 [Wien] Whether XANES can be simulated using Hybrid DFT shamik chakrabarti
2023/02/22 Re: [Wien] Parallel execution on new Intel CPUs Peter Blaha
2023/02/22 Re: [Wien] Parallel execution on new Intel CPUs pluto via Wien
2023/02/20 Re: [Wien] Slab convergence Peter Blaha
2023/02/20 Re: [Wien] Energy of 4f levels in paramagnetic bands Laurence Marks
2023/02/20 Re: [Wien] Slab convergence Laurence Marks
2023/02/20 Re: [Wien] Energy of 4f levels in paramagnetic bands Jindrich Kolorenc
2023/02/20 Re: [Wien] Energy of 4f levels in paramagnetic bands pluto via Wien
2023/02/20 [Wien] Energy of 4f levels in paramagnetic bands pluto via Wien
2023/02/20 [Wien] Slab convergence pluto via Wien
2023/02/17 Re: [Wien] Confusion regarding band structure calculation with hf shamik chakrabarti
2023/02/17 [Wien] Fwd: Confusion regarding band structure calculation with hf shamik chakrabarti
2023/02/17 [Wien] Confusion regarding band structure calculation with hf shamik chakrabarti
2023/02/16 Re: [Wien] QTL quantization axis for Y_lm orbitals gutowska
2023/02/16 Re: [Wien] QTL quantization axis for Y_lm orbitals pluto via Wien
2023/02/16 Re: [Wien] Problems ... when calculating the effective U Karel Vyborny
2023/02/16 Re: [Wien] ELNES output zero Peter Blaha
2023/02/15 [Wien] ELNES output zero Tim Williams via Wien
2023/02/15 Re: [Wien] Definition of directions in QTL band character calculations Peter Blaha
2023/02/14 [Wien] [SPAM?] Re: Parallel execution on new Intel CPUs Laurence Marks
2023/02/14 [Wien] Definition of directions in QTL band character calculations pluto via Wien
2023/02/14 Re: [Wien] Parallel execution on new Intel CPUs pluto via Wien
2023/02/14 [Wien] XANES from a converged solution obtained using HF shamik chakrabarti
2023/02/14 Re: [Wien] Parallel execution on new Intel CPUs Peter Blaha
2023/02/14 Re: [Wien] Parallel execution on new Intel CPUs pluto via Wien
2023/02/14 Re: [Wien] Parallel execution on new Intel CPUs Peter Blaha
2023/02/13 [Wien] qtlpara_lapw bug fix Tim Williams via Wien
2023/02/13 Re: [Wien] QTL quantization axis for Y_lm orbitals Peter Blaha
2023/02/13 Re: [Wien] "so: Undefined variable" error Peter Blaha
2023/02/12 [Wien] "so: Undefined variable" error Tim Williams via Wien
2023/02/12 Re: [Wien] Parallel execution on new Intel CPUs Laurence Marks
2023/02/12 [Wien] Parallel execution on new Intel CPUs pluto via Wien
2023/02/12 Re: [Wien] QTL quantization axis for Y_lm orbitals pluto via Wien
2023/02/10 Re: [Wien] mBJ after HF with alpha equals to 0.05 shamik chakrabarti
2023/02/10 [Wien] mBJ after HF with alpha equals to 0.05 shamik chakrabarti
2023/02/09 Re: [Wien] Should we use -redklist during run_ bandplothf_lapw? Peter Blaha
2023/02/09 Re: [Wien] QTL quantization axis for Y_lm orbitals Peter Blaha
2023/02/09 Re: [Wien] QTL quantization axis for Y_lm orbitals pluto via Wien
2023/02/09 [Wien] Should we use -redklist during run_ bandplothf_lapw? shamik chakrabarti
2023/02/06 Re: [Wien] Missing write_inwplot executable Rubel, Oleg
2023/02/06 Re: [Wien] Missing write_inwplot executable Brandon Gunn via Wien
2023/02/06 [Wien] [SPAM?] Re: Missing write_inwplot executable Laurence Marks
2023/02/06 [Wien] Missing write_inwplot executable Brandon Gunn via Wien
2023/02/05 Re: [Wien] Band structure using HSE06 shamik chakrabarti
2023/02/05 Re: [Wien] Band structure using HSE06 Peter Blaha
2023/02/05 [Wien] Band structure using HSE06 shamik chakrabarti
2023/02/05 Re: [Wien] Problems of Error of charge leakage when calculating the effective U Laurence Marks
2023/02/05 [Wien] Problems of Error of charge leakage when calculating the effective U 晨晨 via Wien
2023/02/03 Re: [Wien] qtl printed output issue Peter Blaha
2023/02/03 [Wien] qtl printed output issue pluto via Wien
2023/02/03 Re: [Wien] Wavefunctions and System Hamiltonian Peter Blaha
2023/02/02 Re: [Wien] Wavefunctions and System Hamiltonian Polatkan, Sascha
2023/02/01 Re: [Wien] Parallel execution of SCF cycle Peter Blaha
2023/02/01 Re: [Wien] Parallel execution of SCF cycle Calum Cunningham
2023/02/01 Re: [Wien] Parallel execution of SCF cycle Laurence Marks
2023/02/01 Re: [Wien] Parallel execution of SCF cycle Calum Cunningham
2023/02/01 Re: [Wien] Parallel execution of SCF cycle Laurence Marks
2023/02/01 Re: [Wien] run_lapw Peter Blaha
2023/02/01 Re: [Wien] run_lapw pluto via Wien
2023/02/01 Re: [Wien] run_lapw Peter Blaha
2023/02/01 Re: [Wien] run_lapw Laurence Marks
2023/02/01 Re: [Wien] Parallel execution of SCF cycle Peter Blaha
2023/02/01 Re: [Wien] Parallel execution of SCF cycle Calum Cunningham
2023/02/01 [Wien] run_lapw Peter Blaha
2023/01/31 Re: [Wien] Parallel execution of SCF cycle Peter Blaha
2023/01/31 Re: [Wien] Parallel execution of SCF cycle Calum Cunningham
2023/01/31 Re: [Wien] Parallel execution of SCF cycle Laurence Marks
2023/01/31 [Wien] Parallel execution of SCF cycle Calum Cunningham
2023/01/31 Re: [Wien] benchmark test withi9-12900k Pavel Ondračka
2023/01/31 Re: [Wien] Whether Hartree-Fock exchange Alpha is a tunable parameter? shamik chakrabarti
2023/01/31 Re: [Wien] Whether Hartree-Fock exchange Alpha is a tunable parameter? fabien . tran
2023/01/31 [Wien] benchmark test withi9-12900k SANDEEP ARORA
2023/01/31 [Wien] Whether Hartree-Fock exchange Alpha is a tunable parameter? shamik chakrabarti
2023/01/27 Re: [Wien] problem in compiling mstar with gfortran Rubel, Oleg
2023/01/27 Re: [Wien] problem in compiling mstar with gfortran Jerzy Goraus
2023/01/27 Re: [Wien] problem in compiling mstar with gfortran Peter Blaha
2023/01/26 [Wien] problem in compiling mstar with gfortran halim said via Wien
2023/01/26 Re: [Wien] Questions on bonding strength Peter Blaha
2023/01/25 [Wien] Questions on bonding strength Qingshan Dong
2023/01/23 Re: [Wien] Mixer error "NEC01 charge leakage too large" Wahid Kamal
2023/01/22 Re: [Wien] Mixer error "NEC01 charge leakage too large" Peter Blaha
2023/01/22 Re: [Wien] Mixer error "NEC01 charge leakage too large" Laurence Marks
2023/01/22 Re: [Wien] Mixer error "NEC01 charge leakage too large" Laurence Marks
2023/01/22 [Wien] Mixer error "NEC01 charge leakage too large" Wahid Kamal
2023/01/19 [Wien] WIEN2k_23.1 Peter Blaha
2023/01/17 Re: [Wien] QTL quantization axis for Y_lm orbitals Peter Blaha
2023/01/17 Re: [Wien] QTL quantization axis for Y_lm orbitals gutowska
2023/01/17 Re: [Wien] QTL quantization axis for Y_lm orbitals pluto via Wien
2023/01/17 Re: [Wien] QTL quantization axis for Y_lm orbitals Peter Blaha
2023/01/16 Re: [Wien] QTL quantization axis for Y_lm orbitals pluto via Wien
2023/01/16 Re: [Wien] QTL quantization axis for Y_lm orbitals Peter Blaha
2023/01/16 Re: [Wien] QTL quantization axis for Y_lm orbitals pluto via Wien
2023/01/09 Re: [Wien] Error while performing elastic constant calcution Peter Blaha
2023/01/09 Re: [Wien] Error while performing elastic constant calcution 413119008
2023/01/09 Re: [Wien] Error while performing elastic constant calcution 413119008
2023/01/09 Re: [Wien] Error while performing elastic constant calcution Morteza Jamal via Wien
2023/01/09 [Wien] Error while performing elastic constant calcution 413119008
2023/01/08 Re: [Wien] lapw1 Peter Blaha
2023/01/06 Re: [Wien] lapw1 Peter Blaha
2023/01/06 Re: [Wien] lapw1 Peter Blaha