January 2017 Archives by author

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Starting: Sun Jan 1 06:49:07 CET 2017
Ending: Tue Jan 31 11:18:26 CET 2017
Messages: 181

• [Wien] Broadening error in TELNES3   MCDERMOTT Eamon 250772
• [Wien] dftd3 in wien2k_14   Gavin Abo
• [Wien] LIBXC 3.0   Gavin Abo
• [Wien] Regarding bands.agr format   Gavin Abo
• [Wien] installing mpich and fftw before installing wien2k   Gavin Abo
• [Wien] installing two versions of wi2n2k together   Gavin Abo
• [Wien] Broadening error in TELNES3   Gavin Abo
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Gavin Abo
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Gavin Abo
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Gavin Abo
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Gavin Abo
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Gavin Abo
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Gavin Abo
• [Wien] WARNING: K-list has changed   Gavin Abo
• [Wien] How to use the LIBXC library?   Gavin Abo
• [Wien] How to use the LIBXC library?   Gavin Abo
• [Wien] How to use the LIBXC library?   Gavin Abo
• [Wien] Math::Trig Fedora 25   Gavin Abo
• [Wien] Error while using mBJ in version Wien2k 14.2   Gavin Abo
• [Wien] shifteig in wien2wannier   Elias Assmann
• [Wien] Plotfunktion von Wannier-Funktionen in w2w für SOC-Rechnungen   Elias Assmann
• [Wien] shifteig in wien2wannier   Koyel Bandopadhyay
• [Wien] shifteig in wien2wannier   Koyel Bandopadhyay
• [Wien] SPACE GROUP DOES NOT CONTAIN INVERSION   Dr. K. C. Bhamu
• [Wien] Regarding bands.agr format   Dr. K. C. Bhamu
• [Wien] Regarding bands.agr format   Dr. K. C. Bhamu
• [Wien] problem in 2Doptimize.job or in my method ...   Dr. K. C. Bhamu
• [Wien] [source of error found, see] Volume optimization Calculation stopped at its very first cycle   Dr. K. C. Bhamu
• [Wien] [by mistake I replies in another thread] problem in 2Doptimize.job or in my method ...   Dr. K. C. Bhamu
• [Wien] query for mpi job file   Dr. K. C. Bhamu
• [Wien] [almost solved but some warning messages are there] problem in 2Doptimize.job or in my method ...   Dr. K. C. Bhamu
• [Wien] WARNING: K-list has changed   Dr. K. C. Bhamu
• [Wien] WARNING: K-list has changed   Dr. K. C. Bhamu
• [Wien] job is crashing [lapw2] on cluster   Dr. K. C. Bhamu
• [Wien] [please pay attention] query for mpi job file   Dr. K. C. Bhamu
• [Wien] [not solved] WARNING: K-list has changed   Dr. K. C. Bhamu
• [Wien] [please pay attention] query for mpi job file   Dr. K. C. Bhamu
• [Wien] regarding patch for mixer.F   Dr. K. C. Bhamu
• [Wien] regarding patch for mixer.F   Dr. K. C. Bhamu
• [Wien] Error while using mBJ in version Wien2k 14.2   Dr. K. C. Bhamu
• [Wien] L2main - QTL-B Error   Dr. K. C. Bhamu
• [Wien] [Solved] L2main - QTL-B Error   Dr. K. C. Bhamu
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Dr. K. C. Bhamu
• [Wien] SPACE GROUP DOES NOT CONTAIN INVERSION   Peter Blaha
• [Wien] Optic error   Peter Blaha
• [Wien] Different convergences in Non-SP and SP methods   Peter Blaha
• [Wien] Different convergences in Non-SP and SP methods   Peter Blaha
• [Wien] The results of the 2Doptimize package   Peter Blaha
• [Wien] mBJcalculation   Peter Blaha
• [Wien] energy   Peter Blaha
• [Wien] The results of the 2Doptimize package   Peter Blaha
• [Wien] Broadening error in TELNES3   Peter Blaha
• [Wien] Phonon Density of States   Peter Blaha
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   Peter Blaha
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   Peter Blaha
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Peter Blaha
• [Wien] L2main - QTL-B Error   Peter Blaha
• [Wien] A probable bug in TELNES program   Peter Blaha
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Peter Blaha
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Peter Blaha
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Pascal Boulet
• [Wien] mBJcalculation   Rajneesh Chaurasiya
• [Wien] problem in 2Doptimize.job or in my method ...   Lyudmila Dobysheva
• [Wien] Volume optimization Calculation stopped at its very first cycle   Lyudmila Dobysheva
• [Wien] problem in 2Doptimize.job or in my method ...   Lyudmila Dobysheva
• [Wien] [please pay attention] query for mpi job file   Lyudmila Dobysheva
• [Wien] d-eg orbitals are not effected by applying Ueff   Lyudmila Dobysheva
• [Wien] Forces not conserved   Lyudmila Dobysheva
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Lyudmila Dobysheva
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Lyudmila Dobysheva
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Lyudmila Dobysheva
• [Wien] Regarding bands.agr format   Fecher, Gerhard
• [Wien] Regarding bands.agr format   Fecher, Gerhard
• [Wien] Volume optimization Calculation stopped at its very first cycle   Fecher, Gerhard
• [Wien] problem in 2Doptimize.job or in my method ...   Fecher, Gerhard
• [Wien] [by mistake I replies in another thread] problem in 2Doptimize.job or in my method ...   Fecher, Gerhard
• [Wien] problem in 2Doptimize.job or in my method ...   Fecher, Gerhard
• [Wien] Phonon Density of States   Fecher, Gerhard
• [Wien] How to do volume optimization with HUbbard-U+SO+SP   Fecher, Gerhard
• [Wien] How to do volume optimization with HUbbard-U+SO+SP   Fecher, Gerhard
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Fecher, Gerhard
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Fecher, Gerhard
• [Wien] regarding Fermi level.   Fecher, Gerhard
• [Wien] The results of the 2Doptimize package   Nacir GUECHI
• [Wien] Tr : Boltztrap with symmetry operation "inversion"!   Nacir GUECHI
• [Wien] Tr : Boltztrap with symmetry operation "inversion"!   Nacir GUECHI
• [Wien] The results of the 2Doptimize package   Nacir GUECHI
• [Wien] The results of the 2Doptimize package   Nacir GUECHI
• [Wien] Optic with and without SO   Nacir GUECHI
• [Wien] Optic with and without SO   Nacir GUECHI
• [Wien] Optic with and without SO   Nacir GUECHI
• [Wien] Optic with and without SO   Nacir GUECHI
• [Wien] optics with -so   Nacir GUECHI
• [Wien] regarding Fermi level.   Nacir GUECHI
• [Wien] regarding Fermi level.   Nacir GUECHI
• [Wien] units in the dipole matrix file mommat2   Little Grass
• [Wien] The results of the 2Doptimize package   Laurence Marks
• [Wien] Phonon Density of States   Laurence Marks
• [Wien] regarding patch for mixer.F   Laurence Marks
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   Laurence Marks
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   Laurence Marks
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   Laurence Marks
• [Wien] How to speed up a reliable optimization   Laurence Marks
• [Wien] How to speed up a reliable optimization   Laurence Marks
• [Wien] How to speed up a reliable optimization   Laurence Marks
• [Wien] How to speed up a reliable optimization   Laurence Marks
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Laurence Marks
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Rajagopalan Mathrubutham
• [Wien] A probable bug in TELNES program   Hajar Nejati
• [Wien] LIBXC 3.0   NeverGiveUp
• [Wien] How to speed up a reliable optimization   Luis Ogando
• [Wien] How to speed up a reliable optimization   Luis Ogando
• [Wien] How to speed up a reliable optimization   Luis Ogando
• [Wien] How to speed up a reliable optimization   Luis Ogando
• [Wien] How to speed up a reliable optimization   Luis Ogando
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Luis Ogando
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Fabiana Da Pieve
• [Wien] my membership to the mailing list gets disabled every 3 weeks   Fabiana Da Pieve
• [Wien] Error while using mBJ in version Wien2k 14.2   GM RAI
• [Wien] Different convergences in Non-SP and SP methods   Abderrahmane Reggad
• [Wien] Different convergences in Non-SP and SP methods   Abderrahmane Reggad
• [Wien] Different convergences in Non-SP and SP methods   Abderrahmane Reggad
• [Wien] Different convergences in Non-SP and SP methods   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] LIBXC 3.0   Abderrahmane Reggad
• [Wien] LIBXC 3.0   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] Tr : Boltztrap with symmetry operation "inversion"!   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] The results of the 2Doptimize package   Abderrahmane Reggad
• [Wien] problem in 2Doptimize.job or in my method ...   Abderrahmane Reggad
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Abderrahmane Reggad
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Abderrahmane Reggad
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Abderrahmane Reggad
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Abderrahmane Reggad
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Abderrahmane Reggad
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Abderrahmane Reggad
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Abderrahmane Reggad
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Abderrahmane Reggad
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Abderrahmane Reggad
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Abderrahmane Reggad
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Abderrahmane Reggad
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Abderrahmane Reggad
• [Wien] The correlation and exchange formulas of potential and energy for PBE functional   Abderrahmane Reggad
• [Wien] How to calculate Band structure and DOS by the onsite hybrid method   Abderrahmane Reggad
• [Wien] How to use the LIBXC library?   Abderrahmane Reggad
• [Wien] How to use the LIBXC library?   Abderrahmane Reggad
• [Wien] How to use the LIBXC library?   Abderrahmane Reggad
• [Wien] How to use the LIBXC library?   Abderrahmane Reggad
• [Wien] Optic with and without SO   Xavier Rocquefelte
• [Wien] Optic with and without SO   Xavier Rocquefelte
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   Xavier Rocquefelte
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   Xavier Rocquefelte
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   Xavier Rocquefelte
• [Wien] installing mpich and fftw before installing wien2k   Sahra Sahraii
• [Wien] installing two versions of wi2n2k together   Sahra Sahraii
• [Wien] Broadening error in TELNES3   Atsushi Yamaguchi
• [Wien] Volume optimization Calculation stopped at its very first cycle   shamik chakrabarti
• [Wien] Volume optimization Calculation stopped at its very first cycle   shamik chakrabarti
• [Wien] Forces not conserved   shamik chakrabarti
• [Wien] d-eg orbitals are not effected by applying Ueff   venkatesh chandragiri
• [Wien] d-eg orbitals are not effected by applying Ueff   venkatesh chandragiri
• [Wien] d-eg orbitals are not effected by applying Ueff   venkatesh chandragiri
• [Wien] How to do volume optimization with HUbbard-U+SO+SP   shaymlal dayananda
• [Wien] How to do volume optimization with HUbbard-U+SO+SP   shaymlal dayananda
• [Wien] Different convergences in Non-SP and SP methods   delamora
• [Wien] Math::Trig Fedora 25   delamora
• [Wien] Math::Trig Fedora 25   delamora
• [Wien] Phonon Density of States   yasir javed
• [Wien] Different convergences in Non-SP and SP methods   pieper
• [Wien] d-eg orbitals are not effected by applying Ueff   pieper
• [Wien] d-eg orbitals are not effected by applying Ueff   pieper
• [Wien] Mixer surprise when using PBE0 hybrid on-site functional   tran at theochem.tuwien.ac.at
• [Wien] energy   ‪Shahrbano Raheme‬ ‪
• [Wien] case.energy   ‪Shahrbano Raheme‬ ‪
• [Wien] energy   ‪Shahrbano Raheme‬ ‪

Last message date: Tue Jan 31 11:18:26 CET 2017
Archived on: Tue Jan 31 11:17:01 CET 2017

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