February 2017 Archives by thread

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Starting: Wed Feb 1 09:58:45 CET 2017
Ending: Tue Feb 28 22:28:47 CET 2017
Messages: 214

• [Pw_forum] Re : Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   Timrov Iurii
  • [Pw_forum] Re : Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   dario rocca
  • [Pw_forum] Re : Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x   Ari P Seitsonen
• [Pw_forum] how to include non local functional for van der waal correction   VineetKumar Pandey
  • [Pw_forum] how to include non local functional for van der waal correction   Giovanni Cantele
  • [Pw_forum] how to include non local functional for van der waal correction   Nicola Marzari
• [Pw_forum] How to specify kpoint and kband in pp.x   Mohammed Ghadiyali
• [Pw_forum] HSE calculation failed with pwscf v.5.4.0   Hongsheng Liu
  • [Pw_forum] HSE calculation failed with pwscf v.5.4.0   Paolo Giannozzi
    • [Pw_forum] HSE calculation failed with pwscf v.5.4.0   Hongsheng Liu
      • [Pw_forum] HSE calculation failed with pwscf v.5.4.0   Paolo Giannozzi
      • [Pw_forum] HSE calculation failed with pwscf v.5.4.0   Hongsheng Liu
      • [Pw_forum] HSE calculation failed with pwscf v.5.4.0   Lorenzo Paulatto
      • [Pw_forum] HSE calculation failed with pwscf v.5.4.0   Hongsheng Liu
• [Pw_forum] SIC-LDA and ZnO   Malmberg, Christopher Eric
  • [Pw_forum] SIC-LDA and ZnO   Paolo Giannozzi
• [Pw_forum] "forrtl: severe (71): integer divide by zero" when calculating electron phonon coupling   Xiaoyu Liu
  • [Pw_forum] "forrtl: severe (71): integer divide by zero" when calculating electron phonon coupling   Paolo Giannozzi
    • [Pw_forum] "forrtl: severe (71): integer divide by zero" when calculating electron phonon coupling   Xiaoyu Liu
• [Pw_forum] How to specify kpoint and kband in pp.x (AGAIN)   Mohammed Ghadiyali
  • [Pw_forum] How to specify kpoint and kband in pp.x (AGAIN)   Giovanni Cantele
• [Pw_forum] installation error: linking to Fortran libraries from C fails   Amel Alhassan
  • [Pw_forum] installation error: linking to Fortran libraries from C fails   Paolo Giannozzi
    • [Pw_forum] installation error: linking to Fortran libraries from C fails   Amel Alhassan
      • [Pw_forum] installation error: linking to Fortran libraries from C fails   Paolo Giannozzi
      • [Pw_forum] installation error: linking to Fortran libraries from C fails   Amel Alhassan
      • [Pw_forum] installation error: linking to Fortran libraries from C fails   Amel Alhassan
• [Pw_forum] non-collinear calculations in QE (5.0.1)   Hanghui Chen
• [Pw_forum] Cpmd   ashkan shekaari
• [Pw_forum] URGENT   ashkan shekaari
  • [Pw_forum] URGENT   Biswajit Santra
• [Pw_forum] Fwd: Calculation of electron-phonon interaction coefficients   Caloma Trumica
• [Pw_forum] A possible bug in epsilon.f90   Jia Chen
  • [Pw_forum] A possible bug in epsilon.f90   Marton
    • [Pw_forum] A possible bug in epsilon.f90   Jia Chen
      • [Pw_forum] A possible bug in epsilon.f90   Marton
      • [Pw_forum] A possible bug in epsilon.f90   Jia Chen
      • [Pw_forum] A possible bug in epsilon.f90   Marton
• [Pw_forum] would like to plot electron density along negative x-axis   gangotri dey
• [Pw_forum] Calculation of electron-phonon interaction coefficients   Krishnamohan
• [Pw_forum] degauss opt   mohammadreza hosseini
  • [Pw_forum] degauss opt   Pietro Delugas
    • [Pw_forum] degauss opt   Nicola Marzari
• [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Louis Fry-Bouriaux
  • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Lorenzo Paulatto
    • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Louis Fry-Bouriaux
      • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Lorenzo Paulatto
      • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Louis Fry-Bouriaux
      • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Louis Fry-Bouriaux
      • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Lorenzo Paulatto
      • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Louis Fry-Bouriaux
      • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Louis Fry-Bouriaux
      • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Lorenzo Paulatto
      • [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell   Louis Fry-Bouriaux
• [Pw_forum] QE 6 compilation   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] QE 6 compilation   Ari P Seitsonen
• [Pw_forum] qe-gipaw 6.0 Segmentation fault   Yasser Fowad AlWahedi
• [Pw_forum] Summer School on Atomistic Simulation Techniques, Trieste, 14-30 June 2017   Stefano de Gironcoli
• [Pw_forum] problem about installing   Nasim Ha
  • [Pw_forum] problem about installing   Louis Fry-Bouriaux
    • [Pw_forum] problem about installing   Максим Арсентьев
  • [Pw_forum] problem about installing   Ari P Seitsonen
• [Pw_forum] Should I enable hyper-threading on QE v5.3.0?   Rolly Ng
• [Pw_forum] problem with DFT+U   Hongsheng Liu
  • [Pw_forum] problem with DFT+U   Federico Iori
    • [Pw_forum] problem with DFT+U   Hongsheng Liu
    • [Pw_forum] problem with DFT+U   Hongsheng Liu
  • [Pw_forum] problem with DFT+U   Matteo Cococcioni
    • [Pw_forum] problem with DFT+U   Hongsheng Liu
      • [Pw_forum] problem with DFT+U   Matteo Cococcioni
      • [Pw_forum] problem with DFT+U   Hongsheng Liu
      • [Pw_forum] problem with DFT+U   Paolo Giannozzi
      • [Pw_forum] problem with DFT+U   Hongsheng Liu
• [Pw_forum] Optical properties and quasiparticle energy calculation   Kanak Datta
  • [Pw_forum] Optical properties and quasiparticle energy calculation   Federico Iori
    • [Pw_forum] Optical properties and quasiparticle energy calculation   Thomas Brumme
• [Pw_forum] LDA+U for p orbitals   FARAH MARSUSI
  • [Pw_forum] LDA+U for p orbitals   Federico Iori
• [Pw_forum] k point in PHonon   wangwy13
• [Pw_forum] GGA+U   FARAH MARSUSI
  • [Pw_forum] GGA+U   Giuseppe Mattioli
    • [Pw_forum] GGA+U   FARAH MARSUSI
      • [Pw_forum] GGA+U   Giuseppe Mattioli
      • [Pw_forum] function "dgamma"   Mahmoud Payami Shabestari
      • [Pw_forum] function "dgamma"   Paolo Giannozzi
      • [Pw_forum] function "dgamma"   Mahmoud Payami Shabestari
  • [Pw_forum] GGA+U   Sohail Ahmad
    • [Pw_forum] GGA+U   Giuseppe Mattioli
• [Pw_forum] cif2qe Error   William Joseph Ivan DeBenedetti
  • [Pw_forum] cif2qe Error   Carlo Nervi
    • [Pw_forum] cif2qe Error   Carlo Nervi
• [Pw_forum] Bandstructure with HSE06   Vipul Shivaji Ghemud
  • [Pw_forum] Bandstructure with HSE06   Lorenzo Paulatto
  • [Pw_forum] Bandstructure with HSE06   Vipul Shivaji Ghemud
• [Pw_forum] Problem in CPMD simulation   Debdipto Acharya
  • [Pw_forum] Problem in CPMD simulation   ashkan shekaari
  • [Pw_forum] Problem in CPMD simulation   Biswajit Santra
• [Pw_forum] homo and lumo   zahra krim
  • [Pw_forum] homo and lumo   Louis Fry-Bouriaux
    • [Pw_forum] homo and lumo   Louis Fry-Bouriaux
  • [Pw_forum] homo and lumo   Ari P Seitsonen
• [Pw_forum] (no subject)   wendi krim
  • [Pw_forum] (no subject)   Sunetra Das
• [Pw_forum] How to understand Local DOS of a certain atom in qe example   朱林光
  • [Pw_forum] How to understand Local DOS of a certain atom in qe example   Guido Fratesi
    • [Pw_forum] How to understand Local DOS of a certain atom in qe example   朱林光
• [Pw_forum] Fw: Re: Re: optimization problems of vanadium oxide   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
• [Pw_forum] General quenstion about metallic supercell   Afshin Arjangmehr
• [Pw_forum] carrier lifetime, diffusion length, mobility   Abdullah N. Albarakati
  • [Pw_forum] carrier lifetime, diffusion length, mobility   HASSAN AHMOUM
• [Pw_forum] Calculation of transition dipole moment   Huy Pham
  • [Pw_forum] Calculation of transition dipole moment   dario rocca
    • [Pw_forum] Calculation of transition dipole moment   Duy Le
  • [Pw_forum] Calculation of transition dipole moment   Jia Chen
    • [Pw_forum] Calculation of transition dipole moment   Huy Pham
• [Pw_forum] GGA+U band structurs   FARAH MARSUSI
• [Pw_forum] wrong representation in phonon calculation with qe-6.0   高淼
• [Pw_forum] Relaxing alpha U   Ajit V
• [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)   Eduardo Menendez
  • [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)   Abdullah N. Albarakati
    • [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)   Nicola Marzari
• [Pw_forum] Kind of Stress tensor   Mahdi Faghihnasiri
  • [Pw_forum] Kind of Stress tensor   stefano de gironcoli
  • [Pw_forum] Kind of Stress tensor   Hörmann Nicolas Georg
• [Pw_forum] Silicon DOS issue   Xufeng Wang
• [Pw_forum] Silicon DOS issue - Pw_forum Digest, Vol 115, Issue 18   nicvok
  • [Pw_forum] Silicon DOS issue - Pw_forum Digest, Vol 115, Issue 18   Xufeng Wang
• [Pw_forum] Units in Vc-relax   Manu Hegde
  • [Pw_forum] Units in Vc-relax   stefano de gironcoli
    • [Pw_forum] Units in Vc-relax   Manu Hegde
• [Pw_forum] upcoming workshops, summer schools and how to find them?   Christoph Wolf(신소재공학과)
• [Pw_forum] Deadline approaching: "Advanced computing of excited state properties in solids and nanostructures with Yambo"   Andrea Ferretti
• [Pw_forum] Pressure along z-plane   Perpetua Wanjiru
• [Pw_forum] Convergence issue for C/BN slab   Namita Narendra
  • [Pw_forum] Convergence issue for C/BN slab   Biswajit Santra
• [Pw_forum] hello i will calculation quantum dots cspbi3 vc-relax what happens in input file to the not bulk calculation   ali mehdizadeh
• [Pw_forum] hello i what vacuum in the relax code for quantum dots calculation .should in the free space applay vacuum or not   ali mehdizadeh
  • [Pw_forum] hello i what vacuum in the relax code for quantum dots calculation .should in the free space applay vacuum or not   Giovanni Cantele
• [Pw_forum] Understanding the calculation   Himani Mishra
  • [Pw_forum] Understanding the calculation   shantanu agnihotri
    • [Pw_forum] Understanding the calculation   Himani Mishra
      • [Pw_forum] Understanding the calculation   shantanu agnihotri
  • [Pw_forum] Understanding the calculation   meisam.a63 at gmail.com
• [Pw_forum] error in gipaw calculation_non-collinear not supported yet   Maria Tassi
• [Pw_forum] running and installing version 6   Helen Eisenberg
  • [Pw_forum] running and installing version 6   Paolo Giannozzi
    • [Pw_forum] running and installing version 6   Helen Eisenberg
• [Pw_forum] About output of PDOS calculations of CeO2   Phanikumar Pentyala
  • [Pw_forum] About output of PDOS calculations of CeO2   Lorenzo Paulatto
    • [Pw_forum] About output of PDOS calculations of CeO2   Phanikumar Pentyala
      • [Pw_forum] About output of PDOS calculations of CeO2   Giuseppe Mattioli
      • [Pw_forum] About output of PDOS calculations of CeO2   Paolo Giannozzi
      • [Pw_forum] About output of PDOS calculations of CeO2   Phanikumar Pentyala
      • [Pw_forum] About output of PDOS calculations of CeO2   Giuseppe Mattioli
• [Pw_forum] Electron - phonon matrix element   Subhodip Chatterjee
• [Pw_forum] Pw_forum Digest, Vol 115, Issue 22   Muthu V
• [Pw_forum] Silicon 111 surface   Ubaid Mohd
  • [Pw_forum] Silicon 111 surface   shantanu agnihotri
  • [Pw_forum] Silicon 111 surface   Giovanni Cantele
    • [Pw_forum] Silicon 111 surface   Giovanni Cantele
• [Pw_forum] Symmetry recognition   Pascal Boulet
  • [Pw_forum] Symmetry recognition   Louis Fry-Bouriaux
    • [Pw_forum] Symmetry recognition   Paolo Giannozzi
      • [Pw_forum] Symmetry recognition   Louis Fry-Bouriaux
  • [Pw_forum] Symmetry recognition   Paolo Giannozzi
    • [Pw_forum] Symmetry recognition   Pascal Boulet
    • [Pw_forum] Symmetry recognition   Pascal Boulet
• [Pw_forum] ESM Example (Al slab with bc2) and Otani/Sugino example   Louis Fry-Bouriaux
  • [Pw_forum] ESM Example (Al slab with bc2) and Otani/Sugino example   Minoru Otani
    • [Pw_forum] ESM Example (Al slab with bc2) and Otani/Sugino example   Louis Fry-Bouriaux
• [Pw_forum] Charge is wrong error   Sunetra Das
  • [Pw_forum] Charge is wrong error   Jing Yang
• [Pw_forum] basis set module PROJWFC   alberto
  • [Pw_forum] basis set module PROJWFC   Lorenzo Paulatto
• [Pw_forum] Topic 8   Sunetra Das
• [Pw_forum] All Lowdin charges are zero   Semen Yesylevskyy
  • [Pw_forum] All Lowdin charges are zero   Giuseppe Mattioli
    • [Pw_forum] All Lowdin charges are zero   Semen Yesylevskyy
      • [Pw_forum] All Lowdin charges are zero   Giuseppe Mattioli
      • [Pw_forum] All Lowdin charges are zero   Semen Yesylevskyy
      • [Pw_forum] All Lowdin charges are zero   Giuseppe Mattioli
• [Pw_forum] Error in routine phq_readin (5010)   Sunetra Das
  • [Pw_forum] Error in routine phq_readin (5010)   Louis Fry-Bouriaux
    • [Pw_forum] Error in routine phq_readin (5010)   Paolo Giannozzi
  • [Pw_forum] Error in routine phq_readin (5010)   dario rocca
    • [Pw_forum] Error in routine phq_readin (5010)   Louis Fry-Bouriaux
  • [Pw_forum] Error in routine phq_readin (5010)   Lorenzo Paulatto
• [Pw_forum] MaX user portal and newsletter   Andrea Ferretti
• [Pw_forum] MaX user portal and newsletter (fwd)   Andrea Ferretti
• [Pw_forum] The unit of potential   毛飞
• [Pw_forum] Pw_forum Digest, Vol 115, Issue 25   hamid elbushra
  • [Pw_forum] "vague question" (renamed --> Re: Pw_forum Digest, Vol 115, Issue 25)   Giuseppe Mattioli
• [Pw_forum] error in average.x   Chao Lei
• [Pw_forum] atomic magnetization   FARAH MARSUSI
  • [Pw_forum] atomic magnetization   Lorenzo Paulatto
• [Pw_forum] how to know features of new versions   Raj kamal
  • [Pw_forum] how to know features of new versions   Paolo Giannozzi
• [Pw_forum] Structural optimization   Sunetra Das
• [Pw_forum] Dissociation on metallic surface   Vincenzo Verdolino
  • [Pw_forum] Dissociation on metallic surface   Vincenzo Verdolino
    • [Pw_forum] Dissociation on metallic surface   Giuseppe Mattioli
      • [Pw_forum] Dissociation on metallic surface   Vincenzo Verdolino
• [Pw_forum] Alignment of total energy?   Ari P Seitsonen
  • [Pw_forum] Alignment of total energy?   Nicola Marzari
    • [Pw_forum] Alignment of total energy?   Giuseppe Mattioli
• [Pw_forum] The unit of potential (??)   Cristian Degli Esposti Boschi
  • [Pw_forum] The unit of potential (??)   毛飞
• [Pw_forum] Plotband.x print 'cross' bands   Meena Rittiruam
  • [Pw_forum] Plotband.x print 'cross' bands   Lorenzo Paulatto
    • [Pw_forum] Plotband.x print 'cross' bands   Meena Rittiruam
• [Pw_forum] how to know features of new versions (Paolo Giannozzi)   Raj kamal
• [Pw_forum] nscf run of GGA+U   project way
  • [Pw_forum] nscf run of GGA+U   Lorenzo Paulatto
  • [Pw_forum] nscf run of GGA+U   project way

Last message date: Tue Feb 28 22:28:47 CET 2017
Archived on: Wed Feb 28 11:16:22 CET 2018

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