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• [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] 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
  • Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al. Laurence Marks
  • Re: [Wien] Patch to fix ROTDEF error in lapw0 for Fd3m et al. Peter Blaha
• Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in 巴拉比
  • Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in Peter Blaha
  • Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in ??????
• [Wien] Bands are often not smooth when zoom in ??????
  • [Wien] Bands are often not smooth when zoom in ??????
  • Re: [Wien] [EXTERNAL] Bands are often not smooth when zoom in Zhu, Jianxin
• [Wien] XMCD S K-edge KRISH
  • Re: [Wien] XMCD S K-edge Peter Blaha
  • Re: [Wien] XMCD S K-edge KRISH
  • Re: [Wien] XMCD S K-edge Gavin Abo
  • Re: [Wien] XMCD S K-edge KRISH
  • Re: [Wien] XMCD S K-edge Peter Blaha
  • Re: [Wien] XMCD S K-edge KRISH
  • Re: [Wien] XMCD S K-edge Peter Blaha
  • Re: [Wien] XMCD S K-edge Fecher, Gerhard
  • Re: [Wien] XMCD S K-edge Lee, Yongbin [A LAB]
  • Re: [Wien] XMCD S K-edge KRISH
  • Re: [Wien] XMCD S K-edge Lee, Yongbin [A LAB]
• [Wien] Full hybrid methode djamel slamnia
  • Re: [Wien] Full hybrid methode Peter Blaha
• [Wien] Which kind of k-points should be set to have the same number for structural optimization Yifan Ding
  • Re: [Wien] Which kind of k-points should be set to have the same number for structural optimization Peter Blaha
  • [Wien] Which kind of k-points should be set to have the same number for structural optimization Yifan Ding

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