April 2018 Archives by thread

• Messages sorted by: [ subject ] [ author ] [ date ]
• More info on this list...

Starting: Sun Apr 1 10:14:45 CEST 2018
Ending: Mon Apr 30 23:24:23 CEST 2018
Messages: 136

• [Wien] problem_boltztarp plotting   Jyoti Thakur
• [Wien] (no subject)   Amir Zayyani
  • [Wien] (no subject)   Gavin Abo
  • [Wien] (no subject)   Riyajul Islam
    • [Wien] (no subject)   Md. Fhokrul Islam
      • [Wien] (no subject)   Riyajul Islam
  • [Wien] (no subject)   Lyudmila Dobysheva
• [Wien] VdW of oxide versus a metal   Laurence Marks
• [Wien] question on psi_nk   唐峰
• [Wien] wien2k workshop, June 12-16   Peter Blaha
• [Wien] construction of super cell for AFM calculation   Krishnaveni. S
  • [Wien] construction of super cell for AFM calculation   Peter Blaha
• [Wien] Installation with MPI and GNU compilers   Rui Costa
  • [Wien] Installation with MPI and GNU compilers   Gavin Abo
    • [Wien] Installation with MPI and GNU compilers   Rui Costa
      • [Wien] Installation with MPI and GNU compilers   Pavel Ondračka
      • [Wien] Installation with MPI and GNU compilers   Laurence Marks
      • [Wien] Installation with MPI and GNU compilers   Pavel Ondračka
      • [Wien] Installation with MPI and GNU compilers   Rui Costa
      • [Wien] Installation with MPI and GNU compilers   Pavel Ondračka
      • [Wien] Installation with MPI and GNU compilers   Rui Costa
• [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Dr. K. C. Bhamu
  • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Lyudmila Dobysheva
  • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Dr. K. C. Bhamu
    • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Peter Blaha
  • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Laurence Marks
    • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Dr. K. C. Bhamu
    • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Laurence Marks
  • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Dr. K. C. Bhamu
  • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Laurence Marks
    • [Wien] [Warning message: Sum of forces not small, possible numerical issues]   Dr. K. C. Bhamu
• [Wien] Magnetization axis, SOC, and rotation   Leandro Salemi
  • [Wien] Magnetization axis, SOC, and rotation   Peter Blaha
    • [Wien] Magnetization axis, SOC, and rotation   Leandro Salemi
      • [Wien] Magnetization axis, SOC, and rotation   Zhu, Jianxin
      • [Wien] Magnetization axis, SOC, and rotation   Leandro Salemi
      • [Wien] Magnetization axis, SOC, and rotation   Zhu, Jianxin
      • [Wien] Magnetization axis, SOC, and rotation   Gavin Abo
• [Wien] L2-main-QTL-B-error   Ashwani Kumar
  • [Wien] L2-main-QTL-B-error   Ashwani Kumar
    • [Wien] L2-main-QTL-B-error   Gavin Abo
    • [Wien] L2-main-QTL-B-error   Ashwani Kumar
• [Wien] SCAN functional with spin polarization   Nils Longshower
  • [Wien] SCAN functional with spin polarization   tran at theochem.tuwien.ac.at
• [Wien] SCAN functional   Nils Longshower
  • [Wien] SCAN functional   tran at theochem.tuwien.ac.at
• [Wien] LAPW2 error with spin orbit coupling   Matthew D Redell
  • [Wien] LAPW2 error with spin orbit coupling   Laurence Marks
  • [Wien] LAPW2 error with spin orbit coupling   Gavin Abo
  • [Wien] LAPW2 error with spin orbit coupling   Peter Blaha
  • [Wien] LAPW2 error with spin orbit coupling   Matthew D Redell
  • [Wien] LAPW2 error with spin orbit coupling   Matthew D Redell
• [Wien] Change 1 atom in 2*2*2 hafnia supercell   Ashwani Kumar
  • [Wien] Change 1 atom in 2*2*2 hafnia supercell   Ashwani Kumar
    • [Wien] Change 1 atom in 2*2*2 hafnia supercell   Gavin Abo
  • [Wien] Change 1 atom in 2*2*2 hafnia supercell   Gavin Abo
• [Wien] Symmetry points in band structure   Seyyed Mojtaba Alavi Sadr
  • [Wien] Symmetry points in band structure   Peter Blaha
• [Wien] on patches to WIEN2k 17.1   Hyungjun Lee
  • [Wien] on patches to WIEN2k 17.1   Gavin Abo
    • [Wien] on patches to WIEN2k 17.1   Hyungjun Lee
      • [Wien] WIEN2k 17.1 Intel 18   delamora
      • [Wien] WIEN2k 17.1 Intel 18   Gavin Abo
      • [Wien] WIEN2k 17.1 Intel 18   delamora
• [Wien] High accuracy calculations   Nils Longshower
  • [Wien] High accuracy calculations   Gavin Abo
  • [Wien] High accuracy calculations   Laurence Marks
    • [Wien] High accuracy calculations   Stefaan Cottenier
• [Wien] Fwd:   Anup Shakya
  • [Wien] Fwd:   tran at theochem.tuwien.ac.at
• [Wien] case.inxsf , lapw5, rhomb_in5   Bon, Marta
• [Wien] compiling error in lapw2   Dr. K. C. Bhamu
  • [Wien] compiling error in lapw2   Gavin Abo
    • [Wien] compiling error in lapw2   Dr. K. C. Bhamu
• [Wien] Non-magnetic GGA+U+SOC calculations for Sm in Sm2+ valence state in Wien2K   Anup Shakya
  • [Wien] Non-magnetic GGA+U+SOC calculations for Sm in Sm2+ valence state in Wien2K   Peter Blaha
  • [Wien] Non-magnetic GGA+U+SOC calculations for Sm in Sm2+ valence state in Wien2K   Anup Shakya
    • [Wien] Non-magnetic GGA+U+SOC calculations for Sm in Sm2+ valence state in Wien2K   Peter Blaha
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Md. Fhokrul Islam
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Peter Blaha
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Md. Fhokrul Islam
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Gavin Abo
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Md. Fhokrul Islam
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Peter Blaha
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Gavin Abo
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Md. Fhokrul Islam
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Lyudmila Dobysheva
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Peter Blaha
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Md. Fhokrul Islam
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Peter Blaha
      • [Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation   Md. Fhokrul Islam
  • [Wien] Non-magnetic GGA+U+SOC calculations for Sm in Sm2+ valence state in Wien2K   Anup Shakya
    • [Wien] Non-magnetic GGA+U+SOC calculations for Sm in Sm2+ valence state in Wien2K   Peter Blaha
    • [Wien] Non-magnetic GGA+U+SOC calculations for Sm in Sm2+ valence state in Wien2K   Laurence Marks
  • [Wien] Non-magnetic GGA+U+SOC calculations for Sm in Sm2+ valence state in Wien2K   Anup Shakya
• [Wien] 2*2*2 supercell, wien2k execution in parallel   Ashwani Kumar
  • [Wien] Fwd: 2*2*2 supercell, wien2k execution in parallel   Ashwani Kumar
• [Wien] Regarding bandstructure calculation in WIEN2k 17.1   mohaddeseh abbasnejad
  • [Wien] Regarding bandstructure calculation in WIEN2k 17.1   Gavin Abo
    • [Wien] Regarding bandstructure calculation in WIEN2k 17.1   mohaddeseh abbasnejad
      • [Wien] Regarding bandstructure calculation in WIEN2k 17.1   Gavin Abo
      • [Wien] Regarding bandstructure calculation in WIEN2k 17.1   mohaddeseh abbasnejad
• [Wien] AFM calculations   Lawal Mohammed
  • [Wien] AFM calculations   Peter Blaha
    • [Wien] AFM calculations   Lawal Mohammed
      • [Wien] AFM calculations   Peter Blaha
      • [Wien] AFM calculations   Lawal Mohammed
• [Wien] Fwd: Wien2k in parallel mode_error.   Ashwani Kumar
  • [Wien] Fwd: Wien2k in parallel mode_error.   Gavin Abo
• [Wien] Wien2k in parallel mode_error   Ashwani Kumar
• [Wien] Attachement missing : Wien2k in parallel mode_error   Ashwani Kumar
  • [Wien] Attachement missing : Wien2k in parallel mode_error   Gavin Abo
  • [Wien] Fwd: Attachement missing : Wien2k in parallel mode_error   Ashwani Kumar
• [Wien] O2 in triplet state?   chin Sabsu
  • [Wien] O2 in triplet state?   Peter Blaha
    • [Wien] O2 in triplet state?   chin Sabsu
      • [Wien] O2 in triplet state?   Peter Blaha
      • [Wien] O2 in triplet state?   chin Sabsu
      • [Wien] O2 in triplet state?   chin Sabsu
      • [Wien] O2 in triplet state?   Peter Blaha
• [Wien] wien2k parallel, lapw crashed   Ashwani Kumar
  • [Wien] wien2k parallel, lapw crashed   Lyudmila Dobysheva
    • [Wien] wien2k parallel, lapw crashed   Gavin Abo
• [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   Kefeng wang
  • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   tran at theochem.tuwien.ac.at
  • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   Peter Blaha
  • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   Lyudmila Dobysheva
  • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   Kefeng wang
    • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   tran at theochem.tuwien.ac.at
    • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   Kefeng wang
      • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   Kefeng wang
      • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   Gavin Abo
      • [Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1   Laurence Marks
• [Wien] About the second harmonic generation within wien2k   Qiaoling Xu
  • [Wien] About the second harmonic generation within wien2k   Gavin Abo
  • [Wien] About the second harmonic generation within wien2k   Peter Blaha

Last message date: Mon Apr 30 23:24:23 CEST 2018
Archived on: Mon Apr 30 23:24:31 CEST 2018

• Messages sorted by: [ subject ] [ author ] [ date ]
• More info on this list...