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[Wien] WIEN2WANNIER
shahrbano rahimi
Re: [Wien] WIEN2WANNIER
Rubel, Oleg
Re: [Wien] [SPAM maybe] Re: WIEN2WANNIER
Jindrich Kolorenc
[Wien] Serial Benchmark i9-9900K
mpeet
Re: [Wien] Serial Benchmark i9-9900K
Peter Blaha
[Wien] bug report: WIEN2k-21.1 : lapw1para_lapw
Takashi Nemoto
Re: [Wien] bug report: WIEN2k-21.1 : lapw1para_lapw
Peter Blaha
Re: [Wien] bug report: WIEN2k-21.1 : lapw1para_lapw
Takashi Nemoto
Re: [Wien] bug report: WIEN2k-21.1 : lapw1para_lapw
Gavin Abo
Re: [Wien] bug report: WIEN2k-21.1 : lapw1para_lapw
Peter Blaha
Re: [Wien] bug report: WIEN2k-21.1 : lapw1para_lapw
Laurence Marks
[Wien] Compiling WIEN2k21: error with findloc in lapw0_mpi
pboulet
Re: [Wien] Compiling WIEN2k21: error with findloc in lapw0_mpi
Peter Blaha
Re: [Wien] Compiling WIEN2k21: error with findloc in lapw0_mpi
pboulet
[Wien] New WIEN2k-21.1 version available.
Peter Blaha
[Wien] Installing WIEN2k, w2web not running
delamora
Re: [Wien] Installing WIEN2k, w2web not running
delamora
Re: [Wien] Installing WIEN2k, w2web not running
Pavel Ondračka
Re: [Wien] Installing WIEN2k, w2web not running
delamora
Re: [Wien] Installing WIEN2k, w2web not running
Pavel Ondračka
[Wien] Question about wave function and case.almblm file
gutowska
Re: [Wien] Question about wave function and case.almblm file
Peter Blaha
[Wien] error in wien2k
413119008
Re: [Wien] error in wien2k
Laurence Marks
[Wien] MPI error
leila mollabashi
Re: [Wien] MPI error
Peter Blaha
Re: [Wien] MPI error
leila mollabashi
Re: [Wien] MPI error
Peter Blaha
[Wien] MPI error
leila mollabashi
Re: [Wien] MPI error
leila mollabashi
Re: [Wien] MPI error
Peter Blaha
[Wien] test
leila mollabashi
[Wien] consistent RKmax and sphere size settings
Pavel Ondračka
Re: [Wien] consistent RKmax and sphere size settings
Laurence Marks
Re: [Wien] consistent RKmax and sphere size settings
Pavel Ondračka
Re: [Wien] consistent RKmax and sphere size settings
Peter Blaha
[Wien] error in hf+so calculaions
Tarek Hammad
Re: [Wien] error in hf+so calculaions
Gavin Abo
Re: [Wien] error in hf+so calculaions
Microsoft.com team
Re: [Wien] error in hf+so calculaions
Gavin Abo
[Wien] Callen versus Born charge
Laurence Marks
Re: [Wien] Callen versus Born charge
Rubel, Oleg
[Wien] Gama point
Tarek Hammad
[Wien] Gama point
Tarek Hammad
[Wien] Pairhess error
Ashwani Kumar
Re: [Wien] Pairhess error
Laurence Marks
Re: [Wien] Pairhess error
Peter Blaha
Re: [Wien] Pairhess error
Ashwani Kumar
[Wien] Error in MPI run
leila mollabashi
Re: [Wien] Error in MPI run
Laurence Marks
Re: [Wien] Error in MPI run
Peter Blaha
[Wien] Error in MPI run
leila mollabashi
Re: [Wien] Error in MPI run
Laurence Marks
[Wien] Constraining position in case.inM
shamik chakrabarti
Re: [Wien] Constraining position in case.inM
Peter Blaha
Re: [Wien] Constraining position in case.inM
shamik chakrabarti
Re: [Wien] Constraining position in case.inM
Peter Blaha
Re: [Wien] Constraining position in case.inM
Laurence Marks
Re: [Wien] Constraining position in case.inM
shamik chakrabarti
[Wien] nband_for_case.inhf
Tarek Hammad
Re: [Wien] nband_for_case.inhf
Laurence Marks
Re: [Wien] nband_for_case.inhf
Peter Blaha
Re: [Wien] nband_for_case.inhf
Microsoft.com team
[Wien] about the mstar program
Ramazan KATIRCI
Re: [Wien] about the mstar program
Dr. K. C. Bhamu
Re: [Wien] about the mstar program
Rubel, Oleg
Re: [Wien] black stripes in band plot
Peter Blaha
Re: [Wien] black stripes in band plot
Fan
[Wien] Global Convergence of KS
Laurence Marks
[Wien] Error in 2nd iteration
shamik chakrabarti
Re: [Wien] Error in 2nd iteration
Laurence Marks
Re: [Wien] Error in 2nd iteration
Peter Blaha
Re: [Wien] Error in 2nd iteration
shamik chakrabarti
Re: [Wien] Error in 2nd iteration
shamik chakrabarti
Re: [Wien] Error in 2nd iteration
Lyudmila Dobysheva
[Wien] Wien2k for HPC
Microsoft.com team
Re: [Wien] Wien2k for HPC
Peter Blaha
[Wien] SO+HF calculations
Tarek Hammad
Re: [Wien] SO+HF calculations
Gavin Abo
Re: [Wien] SO+HF calculations
Microsoft.com team
Re: [Wien] SO+HF calculations
Peter Blaha
Re: [Wien] SO+HF calculations
Microsoft.com team
Re: [Wien] [EXTERNAL] about effective mass
Zhu, Jianxin
[Wien] about effective mass
Ramazan KATIRCI
[Wien] [SPAM?] Re: about effective mass
delamora
Re: [Wien] [SPAM?] Re: about effective mass
Ramazan KATIRCI
Re: [Wien] about effective mass
delamora
Re: [Wien] about effective mass
Tomas Kana
[Wien] [SPAM?] Re: about effective mass
Rubel, Oleg
Re: [Wien] [SPAM?] Re: about effective mass
Karel Vyborny
Re: [Wien] [SPAM?] Re: about effective mass
Ramazan KATIRCI
Re: [Wien] about effective mass
Rubel, Oleg
[Wien] about effective mass
Ramazan KATIRCI
Re: [Wien] about effective mass
Ramazan KATIRCI
Re: [Wien] about effective mass
Lyudmila Dobysheva
Re: [Wien] about effective mass
Rubel, Oleg
Re: [Wien] about effective mass
Ramazan KATIRCI
Re: [Wien] about effective mass
Rubel, Oleg
Re: [Wien] about effective mass
Peter Blaha
Re: [Wien] about effective mass
Rubel, Oleg
Re: [Wien] about effective mass
Ramazan KATIRCI
Re: [Wien] about effective mass
Rubel, Oleg
Re: [Wien] about effective mass
Ramazan KATIRCI
Re: [Wien] about effective mass
Ramazan KATIRCI
Re: [Wien] about effective mass
Dr. K. C. Bhamu
Re: [Wien] about effective mass
Peter Blaha
[Wien] Extra line parallel to Fermi level in band structure
fatima DFT
Re: [Wien] Extra line parallel to Fermi level in band structure
fatima DFT
[Wien] DFT in biomedical research
Laurence Marks
Re: [Wien] DFT in biomedical research
Fabiana Da Pieve
Re: [Wien] DFT in biomedical research
Laurence Marks
Re: [Wien] [EXT] Re: DFT in biomedical research
Suxing Hu
Re: [Wien] DFT in biomedical research
Michael Sluydts
Re: [Wien] DFT in biomedical research
Fabiana Da Pieve
[Wien] Install Wien2k using oneAPI
Riyajul Islam
Re: [Wien] Install Wien2k using oneAPI
Laurence Marks
Re: [Wien] Install Wien2k using oneAPI
Peter Blaha
[Wien] Convergence of internal degrees of freedom in the strained configuration
Anupriya Nyayban
Re: [Wien] Forward of moderated message
Peter Blaha
Re: [Wien] [SPAM] Re: Forward of moderated message
pboulet
Re: [Wien] [SPAM] Re: Forward of moderated message
Peter Blaha
Re: [Wien] [SUSPECTED SPAM] Re: [SPAM] Re: Forward of moderated message
pboulet
[Wien] PhD position at McMaster (Canada)
Rubel, Oleg
[Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Peter Blaha
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Rubel, Oleg
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Rubel, Oleg
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Rubel, Oleg
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Rubel, Oleg
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Rubel, Oleg
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Rubel, Oleg
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
[Wien] mBJ crash
delamora
Re: [Wien] mBJ crash
Laurence Marks
Re: [Wien] mBJ crash
delamora
Re: [Wien] mBJ crash
Peter Blaha
Re: [Wien] opticcpara crashed for mstar
Rubel, Oleg
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Dr. K. C. Bhamu
Re: [Wien] opticcpara crashed for mstar
Rubel, Oleg
[Wien] Running optics with hybrid functional
pboulet
Re: [Wien] Running optics with hybrid functional
Gavin Abo
Re: [Wien] Running optics with hybrid functional
Peter Blaha
Re: [Wien] Running optics with hybrid functional
pboulet
Re: [Wien] Running optics with hybrid functional
Gavin Abo
Re: [Wien] Running optics with hybrid functional
Peter Blaha
[Wien] Query regarding Hubbard U for Ti in TiO2
shamik chakrabarti
Re: [Wien] Query regarding Hubbard U for Ti in TiO2
shamik chakrabarti
Re: [Wien] Query regarding Hubbard U for Ti in TiO2
Karel Vyborny
Re: [Wien] Query regarding Hubbard U for Ti in TiO2
shamik chakrabarti
[Wien] Regarding adding BoltzTraP to WIEN2k in graphical interface w2web
Mohaddeseh Abbasnejad
Re: [Wien] Regarding adding BoltzTraP to WIEN2k in graphical interface w2web
Gavin Abo
Re: [Wien] Regarding adding BoltzTraP to WIEN2k in graphical interface w2web
Mohaddeseh Abbasnejad
[Wien] EECE with orbc
Xavier Rocquefelte
Re: [Wien] EECE with orbc
Laurence Marks
Re: [Wien] EECE with orbc
Laurence Marks
Re: [Wien] EECE with orbc
Xavier Rocquefelte
[Wien] Confusion regarding the convergence of a supercell and the parallel calculation
Anupriya Nyayban
Re: [Wien] Confusion regarding the convergence of a supercell and the parallel calculation
Peter Blaha
[Wien] Error in paralel Lapw1
Murat Aycibin
Re: [Wien] Error in paralel Lapw1
Peter Blaha
Re: [Wien] Error in paralel Lapw1
Gavin Abo
Re: [Wien] Error in paralel Lapw1
Lyudmila Dobysheva
[Wien] Large forces appeared when calculating total energy after structure optimization
shamik chakrabarti
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
Peter Blaha
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
Gavin Abo
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
shamik chakrabarti
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
shamik chakrabarti
Re: [Wien] Large forces appeared when calculating total energy after structure optimization
Laurence Marks
[Wien] Compilation options
Laurence Marks
[Wien] error 'n paralel lapw1
Murat Aycibin
Re: [Wien] error 'n paralel lapw1
Peter Blaha
Re: [Wien] error 'n paralel lapw1
Gavin Abo
[Wien] Fwd: qtl problem
Peter Blaha
Re: [Wien] Fwd: qtl problem
sjalali
[Wien] Fwd: Query regarding the structure generation
Subhasis Panda
Re: [Wien] Fwd: Query regarding the structure generation
Peter Blaha
[Wien] Run SCF for Supercell ZnO:Mg
Murat Aycibin
Re: [Wien] Run SCF for Supercell ZnO:Mg
Laurence Marks
[Wien] After supercell, add impurity... x sgroup change space group
Serhat Ayık
Re: [Wien] After supercell, add impurity... x sgroup change space group
Laurence Marks
Re: [Wien] After supercell, add impurity... x sgroup change space group
Peter Blaha
Re: [Wien] After supercell, add impurity... x sgroup change space group
Serhat Ayık
[Wien] band structure with hybrid functional fails
pboulet
Re: [Wien] band structure with hybrid functional fails
Peter Blaha
Re: [Wien] band structure with hybrid functional fails
pboulet
Re: [Wien] band structure with hybrid functional fails
Peter Blaha
Re: [Wien] band structure with hybrid functional fails
pboulet
[Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Martin Kroeker
Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Peter Blaha
[Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al.
Martin Kroeker
Earlier messages