July 2018 Archives by thread

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Starting: Sun Jul 1 06:01:11 CEST 2018
Ending: Tue Jul 31 22:00:46 CEST 2018
Messages: 137

• [Wien] orbital charge density   BUSHRA SABIR
  • [Wien] orbital charge density   Peter Blaha
• [Wien] LOPW-exhausted for atom 4 PASS 1 had to reduce check 0.010000   Rui Costa
• [Wien] Fw: Re: How to calculate work function   prasad jayasena
• [Wien] tutorial 2 berrypi   kadda AMARA
  • [Wien] tutorial 2 berrypi   Oleg Rubel
• [Wien] Error in supercell creation   prasad jayasena
  • [Wien] Fw: Error in supercell creation   prasad jayasena
• [Wien] Optic program error for XMCD calculation of Fe3O4   Peter Blaha
  • [Wien] Optic program error for XMCD calculation of Fe3O4   Jose Maria Castillo
• [Wien] Error   Subhasis Panda
  • [Wien] Error   Peter Blaha
    • [Wien] Error   Subhasis Panda
    • [Wien] Error   Laurence Marks
      • [Wien] Error   Subhasis Panda
      • [Wien] Error   Gavin Abo
      • [Wien] Error   Subhasis Panda
      • [Wien] Error   Lyudmila Dobysheva
      • [Wien] Error   Gavin Abo
• [Wien] Orbital character: along which axes?   Lukasz Plucinski
  • [Wien] Orbital character: along which axes?   Peter Blaha
• [Wien] Memory in the k-parallel method exceeds NMATMAX ?   Luc Fruchter
  • [Wien] Memory in the k-parallel method exceeds NMATMAX ?   Peter Blaha
• [Wien] wien2k_18   Peter Blaha
  • [Wien] wien2k_18   Dr. K. C. Bhamu
• [Wien] wien2k_18 [-lm warning]   Dr. K. C. Bhamu
• [Wien] compilation problems in the new pes module   Pavel Ondračka
  • [Wien] compilation problems in the new pes module   Peter Blaha
    • [Wien] compilation problems in the new pes module   Pavel Ondračka
      • [Wien] compilation problems in the new pes module   Peter Blaha
      • [Wien] compilation problems in the new pes module   Pavel Ondračka
      • [Wien] compilation problems in the new pes module   Peter Blaha
      • [Wien] compilation problems in the new pes module   Pavel Ondračka
      • [Wien] compilation problems in the new pes module   Peter Blaha
      • [Wien] compilation problems in the new pes module   Pavel Ondračka
      • [Wien] compilation problems in the new pes module   Peter Blaha
• [Wien] "bc: Command not found" - problem in Wien2k_18   Dr. K. Balamurugan
  • [Wien] "bc: Command not found" - problem in Wien2k_18   Gavin Abo
  • [Wien] "bc: Command not found" - problem in Wien2k_18   Laurence Marks
    • [Wien] Wien2k_18   delamora
      • [Wien] Wien2k_18   Gavin Abo
      • [Wien] Wien2k_18   delamora
    • [Wien] "bc: Command not found" - problem in Wien2k_18   Dr. K. Balamurugan
• [Wien] 18.1 mixer (Mango)   Laurence Marks
• [Wien] supported ELPA versions?   Pavel Ondračka
  • [Wien] supported ELPA versions?   Ruh, Thomas
    • [Wien] supported ELPA versions?   Eamon McDermott
    • [Wien] supported ELPA versions?   Pavel Ondračka
• [Wien] crash with -it   Pavel Ondračka
  • [Wien] crash with -it   Peter Blaha
    • [Wien] crash with -it   Pavel Ondračka
• [Wien] Message display during MSR1a optimization   AJAY SINGH VERMA
  • [Wien] Message display during MSR1a optimization   Laurence Marks
• [Wien] empty scf2up file -ELECTRON DENSITY   BUSHRA SABIR
  • [Wien] empty scf2up file -ELECTRON DENSITY   Peter Blaha
  • [Wien] empty scf2up file -ELECTRON DENSITY   BUSHRA SABIR
    • [Wien] empty scf2up file -ELECTRON DENSITY   Peter Blaha
    • [Wien] empty scf2up file -ELECTRON DENSITY   BUSHRA SABIR
• [Wien] Regarding supercell   Riyajul Islam
  • [Wien] Regarding supercell   Laurence Marks
    • [Wien] Regarding supercell   Riyajul Islam
      • [Wien] Regarding supercell   Riyajul Islam
      • [Wien] Regarding supercell   Peter Blaha
      • [Wien] Regarding supercell   Riyajul Islam
• [Wien] [SPAM?] Re: Regarding supercell   Laurence Marks
  • [Wien] [SPAM?] Re: Regarding supercell   Riyajul Islam
    • [Wien] [SPAM?] Re: [SPAM?] Re: Regarding supercell   Gavin Abo
      • [Wien] [SPAM?] Re: [SPAM?] Re: Regarding supercell   Riyajul Islam
      • [Wien] [SPAM?] Re: [SPAM?] Re: Regarding supercell   Riyajul Islam
      • [Wien] [SPAM?] Re: [SPAM?] Re: Regarding supercell   Riyajul Islam
• [Wien] Bug (for me anyway) with all parallel Makefile.orig   Laurence Marks
  • [Wien] Bug (for me anyway) with all parallel Makefile.orig   Gavin Abo
• [Wien] NLVDW 2018 segmentation fault   Luigi Maduro - TNW
  • [Wien] NLVDW 2018 segmentation fault   tran at theochem.tuwien.ac.at
  • [Wien] NLVDW 2018 segmentation fault   tran at theochem.tuwien.ac.at
    • [Wien] NLVDW 2018 segmentation fault   tran at theochem.tuwien.ac.at
  • [Wien] NLVDW 2018 segmentation fault   tran at theochem.tuwien.ac.at
• [Wien] libxc lib lib64 workaround   Gavin Abo
• [Wien] Parallel compiler not updating WIEN2k_COMPILER   Gavin Abo
• [Wien] optics program for DFT+eece calculation   Aaron Jung
  • [Wien] optics program for DFT+eece calculation   Peter Blaha
  • [Wien] optics program for DFT+eece calculation   Aaron Jung
• [Wien] Reg: How to change the Oxidation state of an element in a compound   pachineela rambabu
  • [Wien] Reg: How to change the Oxidation state of an element in a compound   Víctor Luaña Cabal
    • [Wien] Reg: How to change the Oxidation state of an element in a compound   pachineela rambabu
    • [Wien] Reg: How to change the Oxidation state of an element in a compound   Laurence Marks
      • [Wien] Reg: How to change the Oxidation state of an element in a compound   pachineela rambabu
• [Wien] wien2k_18.2   Peter Blaha
• [Wien] Query about Kgen for tetragonal system   Nacir GUECHI
  • [Wien] Query about Kgen for tetragonal system   Laurence Marks
    • [Wien] Query about Kgen for tetragonal system   Nacir GUECHI
  • [Wien] Query about Kgen for tetragonal system   tran at theochem.tuwien.ac.at
    • [Wien] Query about Kgen for tetragonal system   Nacir GUECHI
• [Wien] Fwd: DOS and Bandstructure not matching for nonmagnetic GGA+U+SOC calculations   Anup Shakya
  • [Wien] Fwd: DOS and Bandstructure not matching for nonmagnetic GGA+U+SOC calculations   Laurence Marks
• [Wien] DOS and Bandstructure not matching for nonmagnetic GGA+U+SOC calculations   Anup Shakya
  • [Wien] DOS and Bandstructure not matching for nonmagnetic GGA+U+SOC calculations   Peter Blaha
  • [Wien] DOS and Bandstructure not matching for nonmagnetic GGA+U+SOC calculations   Anup Shakya
    • [Wien] DOS and Bandstructure not matching for nonmagnetic GGA+U+SOC calculations   Víctor Luaña Cabal
• [Wien] Problem with XCrySDen for Electron Desity plot (Wien2k_18)   Dr. K. Balamurugan
  • [Wien] Problem with XCrySDen for Electron Desity plot (Wien2k_18)   Víctor Luaña Cabal
• [Wien] dstart_mpi error   karima Physique
  • [Wien] dstart_mpi error   Gavin Abo
    • [Wien] dstart_mpi error   karima Physique
      • [Wien] dstart_mpi error   karima Physique
      • [Wien] dstart_mpi error   Laurence Marks
      • [Wien] dstart_mpi error   karima Physique
      • [Wien] dstart_mpi error   Laurence Marks
      • [Wien] dstart_mpi error   Gavin Abo
      • [Wien] dstart_mpi error   karima Physique
• [Wien] Convergence problem in the calculation of atoms   Abhilash Patra
  • [Wien] Convergence problem in the calculation of atoms   Laurence Marks
• [Wien] Core electron energy with hybrid functional   Oleg Rubel
  • [Wien] Core electron energy with hybrid functional   tran at theochem.tuwien.ac.at
  • [Wien] Core electron energy with hybrid functional   Luis Ogando
• [Wien] non-collinear magnetic structure in ErFe2 compound   Sherif Yehia
  • [Wien] non-collinear magnetic structure in ErFe2 compound   Gavin Abo
• [Wien] Orbital polarization correction   Lokanath Patra
  • [Wien] Orbital polarization correction   tran at theochem.tuwien.ac.at
• [Wien] precise decimal digits for COA ratio   chin Sabsu
  • [Wien] precise decimal digits for COA ratio   Peter Blaha
• [Wien] Different GGA+U results for different wien2k versions   Chouaib AHMANI FERDI
  • [Wien] Different GGA+U results for different wien2k versions   Laurence Marks
  • [Wien] Different GGA+U results for different wien2k versions   tran at theochem.tuwien.ac.at
    • [Wien] Different GGA+U results for different wien2k versions   Chouaib AHMANI FERDI
      • [Wien] Different GGA+U results for different wien2k versions   Chouaib AHMANI FERDI
      • [Wien] Different GGA+U results for different wien2k versions   tran at theochem.tuwien.ac.at
      • [Wien] Different GGA+U results for different wien2k versions   Laurence Marks
• [Wien] The K-vectors in Angstorm inverse   Monodeep Chakraborty
  • [Wien] The K-vectors in Angstorm inverse   Peter Blaha
  • [Wien] The K-vectors in Angstorm inverse   Monodeep Chakraborty
• [Wien] Error in DOS calculation with WIEN2k 17.1   prasad jayasena
  • [Wien] Error in DOS calculation with WIEN2k 17.1   William Lafargue-dit-Hauret
    • [Wien] Error in DOS calculation with WIEN2k 17.1   prasad jayasena
      • [Wien] Error in DOS calculation with WIEN2k 17.1   William Lafargue-dit-Hauret
      • [Wien] Error in DOS calculation with WIEN2k 17.1   prasad jayasena
• [Wien] Bug report (impi & AVX512 register nodes)   Laurence Marks

Last message date: Tue Jul 31 22:00:46 CEST 2018
Archived on: Tue Jul 31 22:00:53 CEST 2018

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