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