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• • Re: [Wien] confusion regarding band structure of Graphene shamik chakrabarti
  • Re: [Wien] confusion regarding band structure of Graphene Gavin Abo
  • Re: [Wien] confusion regarding band structure of Graphene shamik chakrabarti
  • Re: [Wien] confusion regarding band structure of Graphene Lyudmila Dobysheva via Wien
• [Wien] Regarding lattice constant missing in volume optimization curve data and also in output file of tetragonal lattice Bhanu Prakash
• [Wien] Magnetooptics: possible bug Igor I Mazin
• [Wien] Question about TiC / -ec and -cc Hülya Gürçay
  • Re: [Wien] Question about TiC / -ec and -cc Laurence Marks
  • Re: [Wien] Question about TiC / -ec and -cc Peter Blaha
  • Re: [Wien] Question about TiC / -ec and -cc Hülya Gürçay
• [Wien] Increment of K-points for having smooth DOS in HSE06 calculations shamik chakrabarti
• [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
  • 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 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] QTL quantization axis for Y_lm orbitals Peter Blaha
• [Wien] Cannot open module file ‘fftpack.mod’ shamik chakrabarti
  • Re: [Wien] Cannot open module file ‘fftpack.mod’ shamik chakrabarti
  • Re: [Wien] Cannot open module file ‘fftpack.mod’ shamik chakrabarti
• [Wien] AMD and oneapi for wien2k Hemza
  • Re: [Wien] AMD and oneapi for wien2k Yundi Quan via Wien
  • Re: [Wien] AMD and oneapi for wien2k Peter Blaha
• [Wien] mixer crash Karel Vyborny
  • Re: [Wien] mixer crash Laurence Marks
  • Re: [Wien] mixer crash Karel Vyborny
  • Re: [Wien] mixer crash Jindrich Kolorenc
  • Re: [Wien] mixer crash Laurence Marks
  • Re: [Wien] mixer crash Karel Vyborny
  • Re: [Wien] mixer crash Peter Blaha
  • Re: [Wien] mixer crash Karel Vyborny
  • Re: [Wien] mixer crash Laurence Marks
  • [Wien] budget CPU and Linux system for precompiled binaries pluto via Wien
  • Re: [Wien] budget CPU and Linux system for precompiled binaries Mathew Peet
  • Re: [Wien] budget CPU and Linux system for precompiled binaries Gavin Abo
• [Wien] /tmp/sh.XXYCoXH9: Not a directory. shamik chakrabarti
• [Wien] Automatic running of -bash in the terminal shamik chakrabarti
  • Re: [Wien] Automatic running of -bash in the terminal Laurence Marks
• [Wien] Error during compilation shamik chakrabarti
  • Re: [Wien] Error during compilation Gavin Abo
• [Wien] parallel case.vector and qtl Tim Williams via Wien
  • Re: [Wien] parallel case.vector and qtl Laurence Marks
  • [Wien] Fwd: parallel case.vector and qtl Laurence Marks
  • Re: [Wien] Fwd: parallel case.vector and qtl Peter Blaha
• [Wien] Error while running elastic calculations 413119008
  • Re: [Wien] Error while running elastic calculations Morteza Jamal via Wien
  • Re: [Wien] Error while running elastic calculations 413119008
  • Re: [Wien] Error while running elastic calculations Morteza Jamal via Wien
• [Wien] Bug in QTL WIEN2k 21.1 Aleksandar Razpopov
  • Re: [Wien] Bug in QTL WIEN2k 21.1 Peter Blaha
• [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure ma.azadparvar
  • Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure Peter Blaha
  • Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure ma.azadparvar
  • Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure Gavin Abo
  • Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure ma.azadparvar
  • Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure Lyudmila Dobysheva via Wien
  • Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure Gavin Abo
  • Re: [Wien] Error in parabolfit_lapw for 4D optimization of monoclinic structure Peter Blaha
• [Wien] Semicore band ranges too large shamik chakrabarti
  • Re: [Wien] Semicore band ranges too large shamik chakrabarti
  • Re: [Wien] Semicore band ranges too large Peter Blaha
  • Re: [Wien] Semicore band ranges too large shamik chakrabarti
• [Wien] HF with HDLO? Mikhail Nestoklon via Wien
  • Re: [Wien] HF with HDLO? Peter Blaha
• [Wien] Problems of calculating the effective U and setting shift during the supercell procedure 晨晨 via Wien
  • Re: [Wien] Problems of calculating the effective U and setting shift during the supercell procedure Peter Blaha
• [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Peter Blaha
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Park, Ken
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Park, Ken
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Morteza Jamal via Wien
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Park, Ken
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Morteza Jamal via Wien
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Morteza Jamal via Wien
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Park, Ken
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Morteza Jamal via Wien
  • Re: [Wien] ,IRelast: incorrect structure for e=0.3 in C44 for TiO2 Park, Ken
• [Wien] [SPAM?] Bandstructure calc. with polarization and SO pboulet
  • Re: [Wien] Bandstructure calc. with polarization and SO Peter Blaha
• [Wien] Calculate the allowed volume of Emails reyhaneh ebrahimi
  • Re: [Wien] Calculate the allowed volume of Emails reyhaneh ebrahimi
• [Wien] About increment of K-points after convergence achieved with less no. of K points shamik chakrabarti
  • Re: [Wien] About increment of K-points after convergence achieved with less no. of K points Peter Blaha
  • Re: [Wien] About increment of K-points after convergence achieved with less no. of K points shamik chakrabarti
• [Wien] Bader charge leila mollabashi
  • Re: [Wien] Bader charge Laurence Marks
  • Re: [Wien] Bader charge leila mollabashi
  • Re: [Wien] Bader charge Peter Blaha
  • Re: [Wien] Bader charge Laurence Marks
• [Wien] error in runfsm_lapw: vresp: Undefined variable. Dr . KISHOR KUMAR डॉ . किशोर कुमार
  • Re: [Wien] error in runfsm_lapw: vresp: Undefined variable. pboulet
  • Re: [Wien] error in runfsm_lapw: vresp: Undefined variable. Peter Blaha
  • Re: [Wien] error in runfsm_lapw: vresp: Undefined variable. Dr . KISHOR KUMAR डॉ . किशोर कुमार
  • Re: [Wien] error in runfsm_lapw: vresp: Undefined variable. Laurence Marks
  • Re: [Wien] error in runfsm_lapw: vresp: Undefined variable. Dr . KISHOR KUMAR डॉ . किशोर कुमार
• [Wien] Spin-polarized state not really spin-polarized pboulet
  • Re: [Wien] Spin-polarized state not really spin-polarized fabien . tran
  • Re: [Wien] Spin-polarized state not really spin-polarized pboulet
  • Re: [Wien] Spin-polarized state not really spin-polarized xavier rocquefelte
  • Re: [Wien] Spin-polarized state not really spin-polarized fabien . tran
  • Re: [Wien] Spin-polarized state not really spin-polarized Peter Blaha
  • Re: [Wien] Spin-polarized state not really spin-polarized pboulet
• [Wien] Number of orbitals in spin-polarized hybrid calculation pboulet
  • Re: [Wien] Number of orbitals in spin-polarized hybrid calculation Peter Blaha
  • Re: [Wien] Number of orbitals in spin-polarized hybrid calculation fabien . tran
  • Re: [Wien] Number of orbitals in spin-polarized hybrid calculation pboulet
• [Wien] ELF reyhaneh ebrahimi
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF reyhaneh ebrahimi
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF reyhaneh ebrahimi
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF Kateryna Foyevtsova
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF Kateryna Foyevtsova
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF Kateryna Foyevtsova
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] [EXTERNAL] Re: ELF Zhu, Jianxin via Wien
  • Re: [Wien] [EXTERNAL] Re: ELF fabien . tran
  • Re: [Wien] [EXTERNAL] Re: ELF reyhaneh ebrahimi
  • Re: [Wien] [EXTERNAL] Re: ELF Zhu, Jianxin via Wien
  • Re: [Wien] ELF reyhaneh ebrahimi
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF reyhaneh ebrahimi
  • Re: [Wien] ELF Kateryna Foyevtsova
  • Re: [Wien] ELF fabien . tran
  • Re: [Wien] ELF reyhaneh ebrahimi
  • Re: [Wien] ELF Peter Blaha
  • Re: [Wien] ELF reyhaneh ebrahimi
• [Wien] Optical properties Chukwuemeka Okoye
  • [Wien] Optical properties Chukwuemeka Okoye
  • Re: [Wien] Optical properties Peter Blaha
  • Re: [Wien] Optical properties Chukwuemeka Okoye
  • Re: [Wien] Optical properties Peter Blaha
  • Re: [Wien] Optical properties Chukwuemeka Okoye
• [Wien] Fwd: Survey on the use of simulation codes pblaha
• [Wien] Clarification on Magnetic Anisotropy Energy calculations Marcus Ekholm via Wien
  • Re: [Wien] Clarification on Magnetic Anisotropy Energy calculations Peter Blaha
• [Wien] Associate Professor in Materials Modelling Laurence Marks
• [Wien] About Phonon calculations AJAY SINGH VERMA
  • Re: [Wien] About Phonon calculations Peter Blaha
  • [Wien] strange behavior of QTL's Lyudmila Dobysheva via Wien
  • Re: [Wien] strange behavior of QTL's Peter Blaha
• [Wien] fixed spin moment calculation in MSRa1 mode kadda AMARA
  • Re: [Wien] fixed spin moment calculation in MSRa1 mode Laurence Marks
  • Re: [Wien] fixed spin moment calculation in MSRa1 mode Laurence Marks
• [Wien] contradictory band gap in case.scf and band.agr Dr. K. C. Bhamu
  • Re: [Wien] contradictory band gap in case.scf and band.agr Laurence Marks
  • Re: [Wien] contradictory band gap in case.scf and band.agr Dr. K. C. Bhamu
  • Re: [Wien] contradictory band gap in case.scf and band.agr Gavin Abo
  • Re: [Wien] contradictory band gap in case.scf and band.agr Dr. K. C. Bhamu
  • Re: [Wien] contradictory band gap in case.scf and band.agr Fecher, Gerhard
  • Re: [Wien] contradictory band gap in case.scf and band.agr Dr. K. C. Bhamu
• [Wien] About phonon calculation AJAY SINGH VERMA
  • Re: [Wien] About phonon calculation Peter Blaha
• [Wien] IRelast error in C_ana_elast_lapw AJAY SINGH VERMA
  • Re: [Wien] IRelast error in C_ana_elast_lapw reyhaneh ebrahimi
  • Re: [Wien] IRelast error in C_ana_elast_lapw Laurence Marks
  • Re: [Wien] IRelast error in C_ana_elast_lapw AJAY SINGH VERMA
  • Re: [Wien] IRelast error in C_ana_elast_lapw Laurence Marks
  • Re: [Wien] IRelast error in C_ana_elast_lapw Morteza Jamal via Wien
  • Re: [Wien] IRelast error in C_ana_elast_lapw Morteza Jamal via Wien
• [Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC Xudong Huai
  • Re: [Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC fabien . tran
  • Re: [Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC Xudong Huai
• [Wien] Error while running IRelast - calljob_lapw AJAY SINGH VERMA
  • Re: [Wien] Error while running IRelast - calljob_lapw AJAY SINGH VERMA
  • Re: [Wien] Error while running IRelast - calljob_lapw AJAY SINGH VERMA
  • Re: [Wien] Error while running IRelast - calljob_lapw Gavin Abo
  • Re: [Wien] Error while running IRelast - calljob_lapw AJAY SINGH VERMA
  • Re: [Wien] Error while running IRelast - calljob_lapw Gavin Abo
  • Re: [Wien] Error while running IRelast - calljob_lapw AJAY SINGH VERMA
  • Re: [Wien] Error while running IRelast - calljob_lapw Gavin Abo
  • Re: [Wien] Error while running IRelast - calljob_lapw AJAY SINGH VERMA
  • Re: [Wien] Error while running IRelast - calljob_lapw Gavin Abo
  • Re: [Wien] Error while running IRelast - calljob_lapw Gavin Abo
  • Re: [Wien] Error while running IRelast - calljob_lapw Morteza Jamal via Wien
  • Re: [Wien] Error while running IRelast - calljob_lapw Laurence Marks
  • Re: [Wien] Error while running IRelast - calljob_lapw Laurence Marks
  • Re: [Wien] Error while running IRelast - calljob_lapw Morteza Jamal via Wien
  • Re: [Wien] Error while running IRelast - calljob_lapw Morteza Jamal via Wien
  • Re: [Wien] Error while running IRelast - calljob_lapw Gavin Abo
• [Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw AJAY SINGH VERMA
  • Re: [Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw Gavin Abo
  • Re: [Wien] Error : configure: error: could not find mpi library for --enable-mpi while installing fftw Gavin Abo
• [Wien] Optics with Custom K-mesh Polatkan, Sascha
  • Re: [Wien] Optics with Custom K-mesh Peter Blaha
• [Wien] Error in IRelast Peeyush Kumar Kamlesh
  • Re: [Wien] Error in IRelast Gavin Abo
  • Re: [Wien] Error in IRelast Laurence Marks
  • Re: [Wien] Error in IRelast Peeyush Kumar Kamlesh
  • Re: [Wien] Error in IRelast Gavin Abo
  • Re: [Wien] Error in IRelast morteza jamal via Wien
• [Wien] Lapw1_mpi sherif Yehia
  • Re: [Wien] Lapw1_mpi Peter Blaha

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