January 2017 Archives by thread

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Starting: Sun Jan 1 16:16:51 CET 2017
Ending: Tue Jan 31 20:38:08 CET 2017
Messages: 188

• [Pw_forum] problem about inputfile   Nasim Ha
  • [Pw_forum] problem about inputfile   Ari P Seitsonen
    • [Pw_forum] problem about inputfile   Amer Hamzaoui
  • [Pw_forum] problem about inputfile   Ridwan Agbaoye
  • [Pw_forum] problem about inputfile   Pascal Boulet
    • [Pw_forum] problem about inputfile   ashkan shekaari
  • [Pw_forum] problem about inputfile   Nasim Ha
    • [Pw_forum] problem about inputfile   Paolo Giannozzi
• [Pw_forum] QE-GPU problems.   Konrad Gruszka
  • [Pw_forum] QE-GPU problems.   Filippo SPIGA
    • [Pw_forum] QE-GPU problems.   Konrad Gruszka
• [Pw_forum] How to ignore small negative phonon frequency   Subhodip Chatterjee
  • [Pw_forum] How to ignore small negative phonon frequency   adurajski at wip.pcz.pl
    • [Pw_forum] How to ignore small negative phonon frequency   Subhodip Chatterjee
• [Pw_forum] DOS calculation, fermi energy in newer versions   Karim Elgammal
• [Pw_forum] Phonon out of q=0 for a magnetic insulator   Merlin Meheut
• [Pw_forum] How to apply DFT+U method for specific orbitals   meysam pazoki
  • [Pw_forum] How to apply DFT+U method for specific orbitals   Matteo Cococcioni
    • [Pw_forum] How to apply DFT+U method for specific orbitals   meysam pazoki
• [Pw_forum] [GIPAW] Calculation of electric field gradients (EFGs) at arbitrary positions in lattice   Allen Majewski
• [Pw_forum] parallel electric field in graphene   toktam morshedlo
• [Pw_forum] Saving charge density file   Manu Hegde
  • [Pw_forum] Saving charge density file   Ridwan Agbaoye
  • [Pw_forum] Saving charge density file   Omosede Osafile
• [Pw_forum] STM images after CP calculation in QE v.6.0   Eduardo Cisternas
  • [Pw_forum] STM images after CP calculation in QE v.6.0   Eduardo Cisternas
  • [Pw_forum] STM images after CP calculation in QE v.6.0   Paolo Giannozzi
• [Pw_forum] Memory usage estimate of the calculation   Jun Jiang
  • [Pw_forum] Memory usage estimate of the calculation   Paolo Giannozzi
• [Pw_forum] HSE calculation   jqli14 at fudan.edu.cn
  • [Pw_forum] HSE calculation   Giuseppe Mattioli
    • [Pw_forum] HSE calculation   Paolo Giannozzi
    • [Pw_forum] HSE calculation   jqli14
  • [Pw_forum] HSE calculation   Giuseppe Mattioli
• [Pw_forum] aligning eigenvalues for isolated molecules/atoms   Tiana Davide
  • [Pw_forum] aligning eigenvalues for isolated molecules/atoms   Giuseppe Mattioli
• [Pw_forum] optimization problems of vanadium oxide   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
  • [Pw_forum] optimization problems of vanadium oxide   Manu Hegde
  • [Pw_forum] optimization problems of vanadium oxide   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
• [Pw_forum] CPMD   ashkan shekaari
  • [Pw_forum] CPMD   Axel Kohlmeyer
• [Pw_forum] Isotropic hole, electron effective mass   alberto
  • [Pw_forum] Isotropic hole, electron effective mass   alberto
• [Pw_forum] NEW GROUPS ON COMPUTATIONAL SCIENCE   Gabriele Mogni
• [Pw_forum] relax gives weird error   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Relax writes out an odd sentence between the calculation   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] Relax writes out an odd sentence between the calculation   Paolo Giannozzi
• [Pw_forum] diago_david_ndim   jqli14 at fudan.edu.cn
  • [Pw_forum] diago_david_ndim   Paolo Giannozzi
  • [Pw_forum] diago_david_ndim   Rui Pang
    • [Pw_forum] diago_david_ndim   jqli14 at fudan.edu.cn
• [Pw_forum] Distribution of wavefunctions   jqli14 at fudan.edu.cn
  • [Pw_forum] Distribution of wavefunctions   Paolo Giannozzi
• [Pw_forum] PbTiO3 Tetragonal phase optimization problem   朱林光
  • [Pw_forum] PbTiO3 Tetragonal phase optimization problem   Максим Арсентьев
  • [Pw_forum] PbTiO3 Tetragonal phase optimization problem   朱林光
    • [Pw_forum] PbTiO3 Tetragonal phase optimization problem   Paolo Giannozzi
      • [Pw_forum] PbTiO3 Tetragonal phase optimization problem   Максим Арсентьев
    • [Pw_forum] PbTiO3 Tetragonal phase optimization problem   Ari P Seitsonen
• [Pw_forum] URGENT   ashkan shekaari
  • [Pw_forum] URGENT   stefano de gironcoli
• [Pw_forum] QE-Dev Streaming   Ivan Girotto
• [Pw_forum] floating-point exceptions are signalling: IEEE_DENORMAL   Uttam Paliwal
  • [Pw_forum] floating-point exceptions are signalling: IEEE_DENORMAL   Matic Poberznik
    • [Pw_forum] floating-point exceptions are signalling: IEEE_DENORMAL   Uttam Paliwal
• [Pw_forum] AiiDA tutorial - Lausanne, May 2017   Giovanni Pizzi
• [Pw_forum] kpoint and degauss opt   mohammadreza hosseini
  • [Pw_forum] kpoint and degauss opt   Nicola Marzari
• [Pw_forum] davcio error 10   Pamidighantam, Sudhakar
• [Pw_forum] A question about tot_charge flag with DFT+U calculations   kosuke.nakano at agc.com
  • [Pw_forum] A question about tot_charge flag with DFT+U calculations   stefano de gironcoli
    • [Pw_forum] A question about tot_charge flag with DFT+U calculations   kosuke.nakano at agc.com
• [Pw_forum] Help in compiling qe 6.0 with intel mkl and intel compilers   Yasser Fowad AlWahedi
  • [Pw_forum] Help in compiling qe 6.0 with intel mkl and intel compilers   Paolo Giannozzi
• [Pw_forum] cppp.x   katrin me
  • [Pw_forum] cppp.x   katrin me
• [Pw_forum] alpha_mix alters phonon frequencies in GaAs   Vahid Askarpour
  • [Pw_forum] alpha_mix alters phonon frequencies in GaAs   Marzari Nicola
    • [Pw_forum] alpha_mix alters phonon frequencies in GaAs   Vahid Askarpour
• [Pw_forum] Intel Xeon Phi support in QE6.0?   Rolly Ng
  • [Pw_forum] Intel Xeon Phi support in QE6.0?   Filippo SPIGA
    • [Pw_forum] Intel Xeon Phi support in QE6.0?   Rolly Ng
• [Pw_forum] Help   HASSAN AHMOUM
  • [Pw_forum] Help   dario rocca
• [Pw_forum] pw.x slurm srun failed with intel mpi?   Rolly Ng
  • [Pw_forum] pw.x slurm srun failed with intel mpi?   Filippo SPIGA
    • [Pw_forum] pw.x slurm srun failed with intel mpi?   Rolly Ng
• [Pw_forum] <CAAEv5EU3Xt2F8A+XjJWmWb-gLSt-Ay1WWMFi0ZSrO9SfVtqR2Q at mail.gmail.com>   HASSAN AHMOUM
• [Pw_forum] problem   Nasim Ha
  • [Pw_forum] problem   Giuseppe Mattioli
• [Pw_forum] odd number of electrons and magnetization   FARAH MARSUSI
  • [Pw_forum] odd number of electrons and magnetization   Giovanni Cantele
    • [Pw_forum] odd number of electrons and magnetization   FARAH MARSUSI
    • [Pw_forum] odd number of electrons and magnetization   FARAH MARSUSI
• [Pw_forum] gga+u CALCULATION   Kajal Jindal
  • [Pw_forum] gga+u CALCULATION   Giuseppe Mattioli
    • [Pw_forum] gga+u CALCULATION   Kajal Jindal
• [Pw_forum] Fwd: [yambo-team] School announcement (fwd)   ANDREA FERRETTI
• [Pw_forum] The format of the xsf file   毛飞
  • [Pw_forum] The format of the xsf file   Tone Kokalj
• [Pw_forum] installation error: linking to Fortran libraries from C fails   Amel Alhassan
  • [Pw_forum] installation error: linking to Fortran libraries from C fails   Phanikumar Pentyala
    • [Pw_forum] installation error: linking to Fortran libraries from C fails   Amel Alhassan
• [Pw_forum] Problem with plotbands.x and orbital weights   Rojas Solorzano, Tomas
• [Pw_forum] Error in K resolved DOS, with SOC.   Mohammed Ghadiyali
  • [Pw_forum] Error in K resolved DOS, with SOC.   Paolo Giannozzi
  • [Pw_forum] Error in K resolved DOS, with SOC.   Mohammed Ghadiyali
• [Pw_forum] Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   prem sen
  • [Pw_forum] Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   Timrov Iurii
  • [Pw_forum] Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   prem sen
    • [Pw_forum] Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   Timrov Iurii
  • [Pw_forum] Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   prem sen
    • [Pw_forum] Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   Timrov Iurii
• [Pw_forum] (no subject)   Joydev De
• [Pw_forum] Band structure projected on atomic orbitals   K.M. Mohsin
  • [Pw_forum] Band structure projected on atomic orbitals   Nicola Marzari
    • [Pw_forum] Band structure projected on atomic orbitals   Mohammad Abu Raihan Miah
• [Pw_forum] Calculation for determining Band Inversion due to Spin Orbit Coupling.   Mohammed Ghadiyali
  • [Pw_forum] Calculation for determining Band Inversion due to Spin Orbit Coupling.   Marrazzo Antimo
• [Pw_forum] Calculation for determining Band Inversion due to Spin Orbit Coupling (edited)   Mohammed Ghadiyali
• [Pw_forum] Re^2: Band structure projected on atomic orbitals   K.M. Mohsin
  • [Pw_forum] Re^2: Band structure projected on atomic orbitals   Ari P Seitsonen
    • [Pw_forum] Re^2: Band structure projected on atomic orbitals   Guido Fratesi
      • [Pw_forum] Re^2: Band structure projected on atomic orbitals   K.M. Mohsin
• [Pw_forum] Tuning Spin Orbit Coupling parameter   Niraj Aryal
  • [Pw_forum] Tuning Spin Orbit Coupling parameter   Rui Pang
    • [Pw_forum] Tuning Spin Orbit Coupling parameter   Niraj Aryal
• [Pw_forum] On the ekincw of electron tempearture for double thermostat in CP method   FF_解析セ_奥野幸洋
• [Pw_forum] CuBTC open metal organic frameworks CONVERGENCE   Francesco Pelizza
  • [Pw_forum] CuBTC open metal organic frameworks CONVERGENCE   Francesco Pelizza
  • [Pw_forum] CuBTC open metal organic frameworks CONVERGENCE   Nicola Marzari
  • [Pw_forum] CuBTC open metal organic frameworks CONVERGENCE   Nicola Marzari
    • [Pw_forum] CuBTC open metal organic frameworks CONVERGENCE   Francesco Pelizza
  • [Pw_forum] CuBTC open metal organic frameworks CONVERGENCE   Ari P Seitsonen
• [Pw_forum] Geneartion of US PP and l channel   Aldo Ugolotti
• [Pw_forum] QE installation with OpenMPI   Aldo Ugolotti
  • [Pw_forum] QE installation with OpenMPI   Paolo Giannozzi
  • [Pw_forum] QE installation with OpenMPI   Amer Hamzaoui
  • [Pw_forum] QE installation with OpenMPI   Aldo Ugolotti
    • [Pw_forum] QE installation with OpenMPI   Filippo SPIGA
  • [Pw_forum] QE installation with OpenMPI   Aldo Ugolotti
    • [Pw_forum] QE installation with OpenMPI   Filippo SPIGA
      • [Pw_forum] QE installation with OpenMPI   Aldo Ugolotti
      • [Pw_forum] QE installation with OpenMPI   Filippo SPIGA
      • [Pw_forum] QE installation with OpenMPI   Aldo Ugolotti
• [Pw_forum] K-Points problem in scf calculation   chaitanya varma
  • [Pw_forum] K-Points problem in scf calculation   Giovanni Cantele
• [Pw_forum] ibrav=3 crystal axes   Mihalis Kavousanakis
  • [Pw_forum] ibrav=3 crystal axes   Paolo Giannozzi
    • [Pw_forum] ibrav=3 crystal axes   Mihalis Kavousanakis
• [Pw_forum] Use of nspin simultaneously with noncolin.   Mohammed Ghadiyali
  • [Pw_forum] Use of nspin simultaneously with noncolin.   Giovanni Cantele
  • [Pw_forum] Use of nspin simultaneously with noncolin.   Mohammed Ghadiyali
• [Pw_forum] GETTING ZERO OR INFINITY VALUES IN EPW.OUTPUT FILE   K.A. Gururaj
• [Pw_forum] Intact   nipesh dulal
• [Pw_forum] Regarding installation of Quantum Espresso   nipesh dulal
  • [Pw_forum] Regarding installation of Quantum Espresso   Giuseppe Mattioli
• [Pw_forum] SOC with Spin Polarization (UP and DOWN SPIN)   Mohammed Ghadiyali
  • [Pw_forum] SOC with Spin Polarization (UP and DOWN SPIN)   Federico Iori
  • [Pw_forum] SOC with Spin Polarization (UP and DOWN SPIN)   Mohammed Ghadiyali
• [Pw_forum] XSPECTRA and projwfc   Yohei Uemura
• [Pw_forum] qe-gipaw 6.0 Segmentation fault   Yasser Fowad AlWahedi
  • [Pw_forum] qe-gipaw 6.0 Segmentation fault   Davide Ceresoli
    • [Pw_forum] qe-gipaw 6.0 Segmentation fault   Paolo Giannozzi
      • [Pw_forum] qe-gipaw 6.0 Segmentation fault   Yasser Fowad AlWahedi
      • [Pw_forum] qe-gipaw 6.0 Segmentation fault   Davide Ceresoli
• [Pw_forum] example of cnt   Uttam Paliwal
  • [Pw_forum] example of cnt   Giovanni Cantele
    • [Pw_forum] example of cnt   Uttam Paliwal
      • [Pw_forum] example of cnt   Giovanni Cantele
      • [Pw_forum] example of cnt   Uttam Paliwal
      • [Pw_forum] example of cnt   Biswajit Santra
• [Pw_forum] all-electrons calculations   FARAH MARSUSI
  • [Pw_forum] all-electrons calculations   dario rocca
• [Pw_forum] Calculation of electron-phonon interaction coefficients   Caloma Trumica
• [Pw_forum] hybrid functional   FARAH MARSUSI
  • [Pw_forum] hybrid functional   Paolo Giannozzi
• [Pw_forum] tddft and soc   Mortaza Aghtar
  • [Pw_forum] tddft and soc   Timrov Iurii
    • [Pw_forum] tddft and soc   Mortaza Aghtar
      • [Pw_forum] tddft and soc   Mortaza Aghtar
      • [Pw_forum] tddft and soc   Timrov Iurii
      • [Pw_forum] tddft and soc   Mortaza Aghtar
      • [Pw_forum] tddft and soc   Timrov Iurii
      • [Pw_forum] tddft and soc   Mortaza Aghtar
• [Pw_forum] Error in cppp.x   katrin me
• [Pw_forum] Re : Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   prem sen
• [Pw_forum] electron phonon mass enhancement factor for surfaces   Lars Peters

Last message date: Tue Jan 31 20:38:08 CET 2017
Archived on: Wed Feb 28 11:16:21 CET 2018

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