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• • Re: [Wien] Query about HSE06 Tran, Fabien
  • Re: [Wien] Query about HSE06 Peter Blaha
  • Re: [Wien] Query about HSE06 shamik chakrabarti
  • Re: [Wien] Query about HSE06 shamik chakrabarti
  • Re: [Wien] Query about HSE06 Tran, Fabien
  • Re: [Wien] Query about HSE06 shamik chakrabarti
• [Wien] Fwd: Severe bug in SRC_aim Peter Blaha
  • Re: [Wien] Fwd: Severe bug in SRC_aim Gavin Abo
• [Wien] modified analyze_phonon file Hamza Bouafia
  • Re: [Wien] modified analyze_phonon file Peter Blaha
• [Wien] Increase points in klist_band Wahid Kamal
  • Re: [Wien] Increase points in klist_band Tran, Fabien
• [Wien] Need help for purchasing hardware SANDEEP ARORA
  • Re: [Wien] Need help for purchasing hardware Peter Blaha
  • [Wien] Need help for purchasing hardware SANDEEP ARORA
  • Re: [Wien] Need help for purchasing hardware Laurence Marks
  • Re: [Wien] Need help for purchasing hardware Laurence Marks
  • Re: [Wien] Need help for purchasing hardware Peter Blaha
• [Wien] Error in 2nd cycle shamik chakrabarti
  • Re: [Wien] Error in 2nd cycle Peter Blaha
  • Re: [Wien] Error in 2nd cycle shamik chakrabarti
  • Re: [Wien] Error in 2nd cycle Peter Blaha
  • Re: [Wien] Error in 2nd cycle shamik chakrabarti
• [Wien] A basic question regarding the band structure shamik chakrabarti
  • Re: [Wien] A basic question regarding the band structure Peter Blaha
  • Re: [Wien] A basic question regarding the band structure shamik chakrabarti
• [Wien] Ghost band error shamik chakrabarti
  • Re: [Wien] Ghost band error Gavin Abo
  • Re: [Wien] Ghost band error shamik chakrabarti
  • [Wien] Ghost band error shamik chakrabarti
  • [Wien] Fwd: Ghost band error shamik chakrabarti
  • [Wien] Ghost Band error shamik chakrabarti
  • Re: [Wien] Ghost Band error Peter Blaha
  • Re: [Wien] Ghost Band error shamik chakrabarti
  • Re: [Wien] Ghost Band error shamik chakrabarti
  • Re: [Wien] Ghost Band error Lyudmila Dobysheva via Wien
  • Re: [Wien] Ghost Band error shamik chakrabarti
  • [Wien] Ghost band error shamik chakrabarti
  • Re: [Wien] Ghost band error shamik chakrabarti
• [Wien] query for elastic constants fatima DFT
  • Re: [Wien] query for elastic constants fatima DFT
  • Re: [Wien] query for elastic constants Laurence Marks
  • Re: [Wien] query for elastic constants fatima DFT
  • Re: [Wien] query for elastic constants Laurence Marks
  • Re: [Wien] query for elastic constants fatima DFT
  • Re: [Wien] query for elastic constants Peter Blaha
  • Re: [Wien] query for elastic constants fatima DFT
  • Re: [Wien] query for elastic constants fatima DFT
• [Wien] mBJ+SOC Wahid Kamal
  • Re: [Wien] mBJ+SOC Tran, Fabien
  • Re: [Wien] mBJ+SOC Wahid Kamal
• [Wien] join_vectorfiles and fold2bloch mismatch Marcus Ekholm
  • Re: [Wien] join_vectorfiles and fold2bloch mismatch Rubel, Oleg
  • Re: [Wien] join_vectorfiles and fold2bloch mismatch Peter Blaha
• [Wien] running wien2k using aprun command at Cray XC40 venky ch
  • Re: [Wien] running wien2k using aprun command at Cray XC40 Laurence Marks
  • Re: [Wien] running wien2k using aprun command at Cray XC40 Laurence Marks
  • Re: [Wien] running wien2k using aprun command at Cray XC40 venky ch
  • Re: [Wien] running wien2k using aprun command at Cray XC40 Laurence Marks
  • Re: [Wien] running wien2k using aprun command at Cray XC40 venky ch
  • Re: [Wien] running wien2k using aprun command at Cray XC40 Laurence Marks
• [Wien] Error in x tetra Peeyush Kumar Kamlesh
  • Re: [Wien] Error in x tetra Tran, Fabien
  • Re: [Wien] Error in x tetra Peeyush Kumar Kamlesh
• [Wien] Fwd: Some- QUESTIONS- Replies- about-IRelast-Package Peter Blaha
• [Wien] The problem for atomic forces in the supercells of lanthanides compounds Artem Tarasov
  • Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds Laurence Marks
  • Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds Peter Blaha
  • Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds [email protected]
  • [Wien] The problem for atomic forces in the supercells of lanthanides compounds Artem Tarasov
• [Wien] Mailing list removal V. Maxwell
• [Wien] dstart error in wien2k ver21_1 Ashwani Kumar
  • Re: [Wien] dstart error in wien2k ver21_1 Laurence Marks
  • Re: [Wien] dstart error in wien2k ver21_1 Ashwani Kumar
  • Re: [Wien] dstart error in wien2k ver21_1 Laurence Marks
  • Re: [Wien] dstart error in wien2k ver21_1 Ashwani Kumar
• [Wien] Warning in total energy Anupriya Nyayban
  • Re: [Wien] Warning in total energy Laurence Marks
• [Wien] Error In lapw2 while doing AFM calculation 413119008
  • Re: [Wien] Error In lapw2 while doing AFM calculation Gavin Abo
  • Re: [Wien] Error In lapw2 while doing AFM calculation Lyudmila Dobysheva
• [Wien] Fermi surface with orbital characters Anatoly Slobodchikov
  • Re: [Wien] Fermi surface with orbital characters Peter Blaha
• [Wien] converting struct file into CIF formant 413119008
  • Re: [Wien] converting struct file into CIF formant Laurence Marks
  • Re: [Wien] converting struct file into CIF formant Gavin Abo
  • Re: [Wien] converting struct file into CIF formant Laurence Marks
  • Re: [Wien] converting struct file into CIF formant Gavin Abo
  • Re: [Wien] converting struct file into CIF formant Laurence Marks
  • Re: [Wien] converting struct file into CIF formant Fecher, Gerhard
  • Re: [Wien] converting struct file into CIF formant Laurence Marks
  • Re: [Wien] converting struct file into CIF formant 413119008
• [Wien] unable to find the "x" executable path at Cray node venky ch
  • Re: [Wien] unable to find the "x" executable path at Cray node venky ch
• [Wien] Mixing Laurence Marks
  • Re: [Wien] Mixing Luis Ogando
  • Re: [Wien] Mixing Hamza Bouafia
• [Wien] Regarding "gather_energy.pl" Mohaddeseh Abbasnejad
  • Re: [Wien] Regarding "gather_energy.pl" Gavin Abo
  • Re: [Wien] Regarding "gather_energy.pl" Mohaddeseh Abbasnejad
  • Re: [Wien] Regarding "gather_energy.pl" Gavin Abo
• [Wien] Fwd: Query about denser k-mesh for calculating more accurate total energy/unit cell Peter Blaha
  • Re: [Wien] Fwd: Query about denser k-mesh for calculating more accurate total energy/unit cell shamik chakrabarti
  • [Wien] Improving k-mesh/RKMAX etc Laurence Marks
  • Re: [Wien] Improving k-mesh/RKMAX etc shamik chakrabarti
• [Wien] Possible bug in recent version of nn? SM Alay-e-Abbas
  • Re: [Wien] Possible bug in recent version of nn? Peter Blaha
  • Re: [Wien] Possible bug in recent version of nn? Peter Blaha
• [Wien] Will mpi parallelization need .machines file ? venky ch
• [Wien] error while loading shared libraries libmpi_usempif08.so.40 venky ch
  • Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 Laurence Marks
  • Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 venky ch
  • Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 Peter Blaha
  • Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 venky ch
  • Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 Peter Blaha
  • Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 venky ch
  • Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 Gavin Abo
• [Wien] Severe bug with MGGA when using Libxc Tran, Fabien
• [Wien] errors @ wien2k_21.1 compilation venkatesh chandragiri
  • Re: [Wien] errors @ wien2k_21.1 compilation Laurence Marks
  • Re: [Wien] errors @ wien2k_21.1 compilation Laurence Marks
  • Re: [Wien] errors @ wien2k_21.1 compilation venky ch
  • Re: [Wien] errors @ wien2k_21.1 compilation Fecher, Gerhard
  • Re: [Wien] errors @ wien2k_21.1 compilation venky ch
  • Re: [Wien] errors @ wien2k_21.1 compilation Gavin Abo
  • Re: [Wien] errors @ wien2k_21.1 compilation venky ch
  • Re: [Wien] errors @ wien2k_21.1 compilation Fecher, Gerhard
  • Re: [Wien] errors @ wien2k_21.1 compilation Laurence Marks
  • Re: [Wien] errors @ wien2k_21.1 compilation venky ch
  • Re: [Wien] errors @ wien2k_21.1 compilation Peter Blaha
  • Re: [Wien] errors @ wien2k_21.1 compilation venkatesh chandragiri
• [Wien] Error in "init_mbj_lapw" عبدالرزاق خيرالدين
  • Re: [Wien] Error in "init_mbj_lapw" Laurence Marks
• [Wien] Regarding BoltzTraP2 for spin polarized materials Mohaddeseh Abbasnejad
  • Re: [Wien] Regarding BoltzTraP2 for spin polarized materials Gavin Abo
• [Wien] Activation Energy shamik chakrabarti
  • Re: [Wien] Activation Energy Laurence Marks
  • Re: [Wien] Activation Energy shamik chakrabarti
  • Re: [Wien] Activation Energy Laurence Marks
  • Re: [Wien] Activation Energy Dr. K. C. Bhamu
  • Re: [Wien] Activation Energy shamik chakrabarti
  • Re: [Wien] Activation Energy Peter Blaha
  • Re: [Wien] Activation Energy shamik chakrabarti
• [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
  • Re: [Wien] Confusion regarding AFM structure of a spinel compound Laurence Marks
  • Re: [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
  • Re: [Wien] Confusion regarding AFM structure of a spinel compound Peter Blaha
  • Re: [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
  • Re: [Wien] Confusion regarding AFM structure of a spinel compound Peter Blaha
  • Re: [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
  • Re: [Wien] Confusion regarding AFM structure of a spinel compound Peter Blaha
  • Re: [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
• [Wien] Precise positions overwritten Wahid Kamal
  • Re: [Wien] Precise positions overwritten Laurence Marks
  • Re: [Wien] Precise positions overwritten Wahid Kamal
• Re: [Wien] parallel instalation of Wien2k: elpa, fftw Ilias Miroslav, doc. RNDr., PhD.
  • Re: [Wien] parallel instalation of Wien2k: elpa, fftw Peter Blaha
  • Re: [Wien] parallel instalation of Wien2k: elpa, fftw Laurence Marks
  • Re: [Wien] parallel instalation of Wien2k: elpa, fftw Ramazan KATIRCI
  • Re: [Wien] parallel instalation of Wien2k: elpa, fftw Laurence Marks
• [Wien] When to use (or not) onsite hybrid or +U? Laurence Marks
  • Re: [Wien] When to use (or not) onsite hybrid or +U? Peter Blaha
  • Re: [Wien] When to use (or not) onsite hybrid or +U? Laurence Marks
  • [Wien] DMFT delamora
  • Re: [Wien] DMFT gutowska
  • Re: [Wien] DMFT delamora via Wien
  • Re: [Wien] DMFT Gavin Abo
  • [Wien] Intel compilers delamora
  • Re: [Wien] Intel compilers Gavin Abo
  • Re: [Wien] Intel compilers Laurence Marks
  • Re: [Wien] Intel compilers delamora
  • Re: [Wien] Intel compilers Gavin Abo
  • Re: [Wien] Intel compilers delamora
  • Re: [Wien] Intel compilers Gavin Abo
  • Re: [Wien] Intel compilers Laurence Marks
  • Re: [Wien] Intel compilers Fecher, Gerhard
  • Re: [Wien] DMFT mourad boujnah
• [Wien] Structure optimization of a monoclinic lattice shamik chakrabarti
  • Re: [Wien] Structure optimization of a monoclinic lattice Gavin Abo
  • Re: [Wien] Structure optimization of a monoclinic lattice shamik chakrabarti
• [Wien] Top surface layer seems to be isolated from the rest of the system Dr. K. C. Bhamu
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Laurence Marks
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Laurence Marks
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Dr. K. C. Bhamu
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Peter Blaha
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Laurence Marks
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Laurence Marks
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Peter Blaha
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Laurence Marks
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Dr. K. C. Bhamu
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Dr. K. C. Bhamu
  • Re: [Wien] Top surface layer seems to be isolated from the rest of the system Lyudmila Dobysheva
• [Wien] Computing matrix elements using cell-periodic Bloch functions Andrew Parks
  • Re: [Wien] Computing matrix elements using cell-periodic Bloch functions Peter Blaha
• [Wien] Confusion regarding supercell calculation Anupriya Nyayban
  • Re: [Wien] Confusion regarding supercell calculation Tran, Fabien
  • Re: [Wien] Confusion regarding supercell calculation Anupriya Nyayban
  • Re: [Wien] Confusion regarding supercell calculation Laurence Marks
  • Re: [Wien] Confusion regarding supercell calculation Anupriya Nyayban
  • Re: [Wien] Confusion regarding supercell calculation Laurence Marks

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