wien  

Messages by Thread

• [Wien] Volunteers to "break" the next mixer release Laurence Marks
• [Wien] Ghost band error in Na2O shamik chakrabarti
  • Re: [Wien] Ghost band error in Na2O Laurence Marks
  • Re: [Wien] Ghost band error in Na2O Peter Blaha
  • Re: [Wien] Ghost band error in Na2O shamik chakrabarti
• [Wien] New installation of W2k Arthur H. Edwards
  • Re: [Wien] New installation of W2k Peter Blaha
  • Re: [Wien] New installation of W2k Arthur H. Edwards
  • Re: [Wien] New installation of W2k Peter Blaha
  • Re: [Wien] New installation of W2k Gavin Abo
  • Re: [Wien] New installation of W2k Arthur H. Edwards
  • [Wien] [SPAM?] Re: New installation of W2k Gavin Abo
  • Re: [Wien] New installation of W2k Arthur H. Edwards
  • [Wien] [SPAM?] Re: New installation of W2k Gavin Abo
  • Re: [Wien] New installation of W2k Arthur H. Edwards
• [Wien] Dependence of DOS on Emin and Emax w...@fysik.cn
  • Re: [Wien] Dependence of DOS on Emin and Emax Peter Blaha
  • Re: [Wien] Dependence of DOS on Emin and Emax w...@fysik.cn
• [Wien] superconductor Wien2k User
  • Re: [Wien] superconductor Peter Blaha
  • Re: [Wien] superconductor Peter Blaha
  • Re: [Wien] superconductor Wien2k User
• [Wien] Reg: Angle (Theta)dependent dHvA frequencies with SKEAF code Peram sreenivasa reddy
• [Wien] Aligning magnetization direction along high symmetry crystallographic direction Nileema Sharma
  • Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction Laurence Marks
  • Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction Gavin Abo
  • Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction Peter Blaha
  • Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction Nileema Sharma
  • Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction Xavier Rocquefelte
  • Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction Nileema Sharma
  • Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction Gavin Abo
• [Wien] Fwd: Re: Error in running spin-orbit coupling Peter Blaha
• [Wien] Alignment band Brik Hamida
  • Re: [Wien] Alignment band Gavin Abo
  • Re: [Wien] Alignment band Oleg Rubel
• [Wien] Extract energy contribution of a single atom Fan
  • Re: [Wien] Extract energy contribution of a single atom Laurence Marks
  • Re: [Wien] Extract energy contribution of a single atom Fan
  • Re: [Wien] Extract energy contribution of a single atom Peter Blaha
  • Re: [Wien] Extract energy contribution of a single atom Fecher, Gerhard
  • Re: [Wien] Extract energy contribution of a single atom Fan
  • Re: [Wien] Extract energy contribution of a single atom Fan
• [Wien] EOF on case.clmcor on second iteration of HF calculation Falke, Johannes
  • Re: [Wien] EOF on case.clmcor on second iteration of HF calculation Tran, Fabien
  • Re: [Wien] EOF on case.clmcor on second iteration of HF calculation Peter Blaha
  • Re: [Wien] EOF on case.clmcor on second iteration of HF calculation Falke, Johannes
• [Wien] Segmentation fault in Kgen shamik chakrabarti
  • Re: [Wien] Segmentation fault in Kgen Gavin Abo
  • Re: [Wien] Segmentation fault in Kgen shamik chakrabarti
  • Re: [Wien] Segmentation fault in Kgen Gavin Abo
• [Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase Wasim Raja Mondal
  • Re: [Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase Xavier Rocquefelte
  • Re: [Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase Wasim Raja Mondal
  • Re: [Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase Xavier Rocquefelte
  • Re: [Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase Wasim Raja Mondal
  • Re: [Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase Tran, Fabien
  • Re: [Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase Xavier Rocquefelte
  • Re: [Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase Tran, Fabien
• [Wien] Problems of out of memory in parallel jobs MA Weiliang
  • Re: [Wien] Problems of out of memory in parallel jobs Laurence Marks
  • Re: [Wien] Problems of out of memory in parallel jobs Peter Blaha
• [Wien] compilation error - reg Viswanathan Elumalai
  • Re: [Wien] compilation error - reg Peter Blaha
  • Re: [Wien] compilation error - reg Tran, Fabien
  • Re: [Wien] compilation error - reg Gavin Abo
  • Re: [Wien] compilation error - reg Peter Blaha
  • Re: [Wien] compilation error - reg Gavin Abo
• [Wien] Use of -in1new switch Chukwuemeka Okoye
  • Re: [Wien] Use of -in1new switch Tran, Fabien
  • Re: [Wien] Use of -in1new switch Chukwuemeka Okoye
  • Re: [Wien] Use of -in1new switch Tran, Fabien
  • Re: [Wien] Use of -in1new switch Chukwuemeka Okoye
  • Re: [Wien] Use of -in1new switch Tran, Fabien
  • Re: [Wien] Use of -in1new switch Chukwuemeka Okoye
  • Re: [Wien] Use of -in1new switch Peter Blaha
• [Wien] Questions about the difference charge density in the Ti core Ding Peng
  • Re: [Wien] Questions about the difference charge density in the Ti core Peter Blaha
  • Re: [Wien] Questions about the difference charge density in the Ti core Ding Peng
  • Re: [Wien] Questions about the difference charge density in the Ti core Tran, Fabien
  • Re: [Wien] Questions about the difference charge density in the Ti core Ding Peng
• [Wien] Characters of atoms in the fold2bloch bands. Artem Tarasov
  • Re: [Wien] Characters of atoms in the fold2bloch bands. Oleg Rubel
  • [Wien] x lstart -sigma: key Print/No doesn't work Lyudmila Dobysheva
  • Re: [Wien] x lstart -sigma: key Print/No doesn't work Tran, Fabien
  • Re: [Wien] x lstart -sigma: key Print/No doesn't work Peter Blaha
  • [Wien] 2) x lstart -sigma: key Print/No doesn't work Lyudmila Dobysheva
  • Re: [Wien] Characters of atoms in the fold2bloch bands. Артем Тарасов
  • Re: [Wien] Characters of atoms in the fold2bloch bands. Oleg Rubel
  • Re: [Wien] Characters of atoms in the fold2bloch bands. Артем Тарасов
  • Re: [Wien] Characters of atoms in the fold2bloch bands. Oleg Rubel
  • Re: [Wien] Characters of atoms in the fold2bloch bands. Peter Blaha
  • Re: [Wien] Characters of atoms in the fold2bloch bands. Oleg Rubel
  • Re: [Wien] Characters of atoms in the fold2bloch bands. Oleg Rubel
• [Wien] seek assistant for solving a problem in optical calculation for black phosphorus Hongwei Wang
  • Re: [Wien] seek assistant for solving a problem in optical calculation for black phosphorus Tran, Fabien
  • Re: [Wien] seek assistant for solving a problem in optical calculation for black phosphorus Hongwei Wang
  • Re: [Wien] seek assistant for solving a problem in optical calculation for black phosphorus Tran, Fabien
  • Re: [Wien] seek assistant for solving a problem in optical calculation for black phosphorus Peter Blaha
• [Wien] Missuse of WIEN2k Peter Blaha
• [Wien] description of the band plot Fan
  • Re: [Wien] description of the band plot Peter Blaha
  • Re: [Wien] description of the band plot Fan
• [Wien] Questions about difference electron density map Ding Peng
  • Re: [Wien] Questions about difference electron density map Peter Blaha
  • Re: [Wien] Questions about difference electron density map Ding Peng
  • Re: [Wien] Questions about difference electron density map Ding Peng
  • Re: [Wien] Questions about difference electron density map Tran, Fabien
  • Re: [Wien] Questions about difference electron density map Ding Peng
  • Re: [Wien] Questions about difference electron density map Tran, Fabien
  • Re: [Wien] Questions about difference electron density map Ding Peng
  • Re: [Wien] Questions about difference electron density map Tran, Fabien
  • Re: [Wien] Questions about difference electron density map Ding Peng
  • Re: [Wien] Questions about difference electron density map Tran, Fabien
  • Re: [Wien] Questions about difference electron density map Ding Peng
  • Re: [Wien] Questions about difference electron density map Tran, Fabien
  • Re: [Wien] Questions about difference electron density map Ding Peng
• [Wien] error in mixer Mohad Abbasnejad
  • Re: [Wien] error in mixer Laurence Marks
  • Re: [Wien] error in mixer Laurence Marks
  • Re: [Wien] error in mixer Mohad Abbasnejad
  • Re: [Wien] error in mixer Laurence Marks
  • Re: [Wien] error in mixer Mohad Abbasnejad
  • Re: [Wien] error in mixer Pavel Ondračka
  • Re: [Wien] error in mixer Mohad Abbasnejad
  • Re: [Wien] error in mixer Gavin Abo
  • Re: [Wien] error in mixer Peter Blaha
• [Wien] Lapw1 mpi run problem ( gfortran+openmpi) Deyerling , André
• [Wien] How to determine the exchange splitting in metals ? Abderrahmane Reggad
  • Re: [Wien] How to determine the exchange splitting in metals ? Peter Blaha
  • Re: [Wien] How to determine the exchange splitting in metals ? Abderrahmane Reggad
  • Re: [Wien] How to determine the exchange splitting in metals ? Fecher, Gerhard
  • Re: [Wien] How to determine the exchange splitting in metals ? Abderrahmane Reggad
  • Re: [Wien] How to determine the exchange splitting in metals ? Abderrahmane Reggad
  • Re: [Wien] How to determine the exchange splitting in metals ? Abderrahmane Reggad
  • Re: [Wien] How to determine the exchange splitting in metals ? Fecher, Gerhard
  • Re: [Wien] How to determine the exchange splitting in metals ? Abderrahmane Reggad
  • Re: [Wien] How to determine the exchange splitting in metals ? Fecher, Gerhard
• [Wien] case.in1c missing for a centrosymmetric case doing U+SO Luc Fruchter
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Tran, Fabien
  • [Wien] case.in1c missing for a centrosymmetric case doing U+SO Luc Fruchter
  • Re: [Wien] [EXTERNAL] case.in1c missing for a centrosymmetric case doing U+SO Zhu, Jianxin
  • Re: [Wien] [EXTERNAL] case.in1c missing for a centrosymmetric case doing U+SO Tran, Fabien
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Fecher, Gerhard
  • [Wien] case.in1c missing for a centrosymmetric case doing U+SO Luc Fruchter
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Tran, Fabien
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Peter Blaha
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Luc Fruchter
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Laurence Marks
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Gavin Abo
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Luc Fruchter
  • Re: [Wien] case.in1c missing for a centrosymmetric case doing U+SO Peter Blaha
• [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis" shamik chakrabarti
  • Re: [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis" Tran, Fabien
  • Re: [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis" Pavel Ondračka
  • Re: [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis" shamik chakrabarti
  • Re: [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis" Tran, Fabien
  • Re: [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis" shamik chakrabarti
  • Re: [Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis" Tran, Fabien
• [Wien] How to calculate the integrated DOS Abderrahmane Reggad
  • Re: [Wien] How to calculate the integrated DOS Peter Blaha
  • Re: [Wien] How to calculate the integrated DOS Abderrahmane Reggad
• [Wien] "vresp: Undefined variable" with runsp_c_lapw Luc Fruchter
  • Re: [Wien] "vresp: Undefined variable" with runsp_c_lapw Tran, Fabien
• [Wien] temperature dependent DFT (band, ...) calculations Dr. K. C. Bhamu
  • Re: [Wien] temperature dependent DFT (band, ...) calculations Laurence Marks
  • Re: [Wien] temperature dependent DFT (band, ...) calculations Dr. K. C. Bhamu
  • Re: [Wien] temperature dependent DFT (band, ...) calculations Peter Blaha
  • Re: [Wien] temperature dependent DFT (band, ...) calculations Dr. K. C. Bhamu
  • Re: [Wien] temperature dependent DFT (band, ...) calculations Sam Trickey
  • Re: [Wien] temperature dependent DFT (band, ...) calculations GM RAI
• [Wien] Spin densities in up and down cases pachineela rambabu
  • Re: [Wien] Spin densities in up and down cases Tran, Fabien
  • Re: [Wien] Spin densities in up and down cases pachineela rambabu
  • Re: [Wien] Spin densities in up and down cases Tran, Fabien
  • Re: [Wien] Spin densities in up and down cases pachineela rambabu
  • Re: [Wien] Spin densities in up and down cases Tran, Fabien
  • Re: [Wien] Spin densities in up and down cases Gavin Abo
• [Wien] Lapw.2 error Johnathon Street
  • Re: [Wien] Lapw.2 error Laurence Marks
  • Re: [Wien] Lapw.2 error Gavin Abo
  • Re: [Wien] Lapw.2 error Pavel Ondračka
  • Re: [Wien] Lapw.2 error Peter Blaha
  • Re: [Wien] Lapw.2 error Johnathon Street
• [Wien] GGA+U : error reading case.dmatup Luc Fruchter
  • Re: [Wien] GGA+U : error reading case.dmatup Peter Blaha
  • [Wien] GGA+U : error reading case.dmatup Luc Fruchter
  • [Wien] GGA+U : error reading case.dmatup Luc Fruchter
• [Wien] init_orb_lapw -orb does not take atom parameters from command line Luc Fruchter
  • Re: [Wien] init_orb_lapw -orb does not take atom parameters from command line Gavin Abo
  • [Wien] init_orb_lapw -orb does not take atom parameters from command line Luc Fruchter
• [Wien] A suggestion about the hybrid functional Abderrahmane Reggad
  • Re: [Wien] A suggestion about the hybrid functional Tran, Fabien
  • Re: [Wien] A suggestion about the hybrid functional Abderrahmane Reggad
  • Re: [Wien] A suggestion about the hybrid functional Tran, Fabien
  • Re: [Wien] A suggestion about the hybrid functional Abderrahmane Reggad
  • Re: [Wien] A suggestion about the hybrid functional Peter Blaha
  • Re: [Wien] A suggestion about the hybrid functional Abderrahmane Reggad
  • Re: [Wien] A suggestion about the hybrid functional Tran, Fabien
  • Re: [Wien] A suggestion about the hybrid functional Abderrahmane Reggad
• [Wien] LDA vs GGA Amit Chauhan ph17d008

• Earlier messages