May 2011 Archives by thread

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Starting: Sun May 1 12:08:16 CEST 2011
Ending: Tue May 31 21:42:44 CEST 2011
Messages: 393

• [Pw_forum] LO-TO splitting in dynmat.x   Stefano Baroni
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] About time dependent   Stefano Baroni
• [Pw_forum] how to get kopint from xcrysden   Paul Funso
  • [Pw_forum] how to get kopint from xcrysden   Gabriele Sclauzero
• [Pw_forum] [sum_band.o] Error 1   B. Koa
  • [Pw_forum] [sum_band.o] Error 1   Paolo Giannozzi
  • [Pw_forum] [sum_band.o] Error 1   Lorenzo Paulatto
    • [Pw_forum] Oscillations in macroscopic average of VH+Vbare   Gabriele Sclauzero
    • [Pw_forum] dos vs. pdos.tot   Gabriele Sclauzero
    • [Pw_forum] dos vs. pdos.tot   Mehrnoosh Hazrati
    • [Pw_forum] cesium PP generation regarding semicore state   Gabriele Sclauzero
• [Pw_forum] neb.x with intermediate images   Patricia Alejandra Paredes-Olivera
  • [Pw_forum] neb.x with intermediate images   Arles V. Gil Rebaza
    • [Pw_forum] neb.x with intermediate images   Patricia Alejandra Paredes-Olivera
      • [Pw_forum] neb.x with intermediate images   Layla Martin-Samos
• [Pw_forum] Graphene Nanoribbon   swapnil chandratre
  • [Pw_forum] Graphene Nanoribbon   xirainbow
    • [Pw_forum] Graphene Nanoribbon   swapnil chandratre
    • [Pw_forum] Graphene Nanoribbon   xirainbow
    • [Pw_forum] Graphene Nanoribbon   swapnil chandratre
    • [Pw_forum] Graphene Nanoribbon   swapnil chandratre
    • [Pw_forum] Graphene Nanoribbon   swapnil chandratre
• [Pw_forum] Need help to run on windows using cygwin   Dr. Mahmudur Rahman
  • [Pw_forum] Need help to run on windows using cygwin   Giovanni Cantele
• [Pw_forum] Imposing opposite spins   Padmaja Patnaik
  • [Pw_forum] Imposing opposite spins   Arles V. Gil Rebaza
• [Pw_forum] using wf_collect only for a few bands   J. D. Burton
  • [Pw_forum] using wf_collect only for a few bands   Paolo Giannozzi
• [Pw_forum] Cohesive Energy of N2 molecule   Izaak Williamson
  • [Pw_forum] Cohesive Energy of N2 molecule   Giovani Faccin
    • [Pw_forum] Cohesive Energy of N2 molecule   Paolo Giannozzi
    • [Pw_forum] Cohesive Energy of N2 molecule   elbuesta at icqmail.com
  • [Pw_forum] Cohesive Energy of N2 molecule   Davide Ceresoli
  • [Pw_forum] Cohesive Energy of N2 molecule   Stefano de Gironcoli
• [Pw_forum] Atomic-positions VS nat, ntyp   Amin Torabi
  • [Pw_forum] Atomic-positions VS nat, ntyp   Paolo Giannozzi
  • [Pw_forum] Atomic-positions VS nat, ntyp   Stefano de Gironcoli
• [Pw_forum] k-points for band structure for monoclinic system   Abolore Musari
• [Pw_forum] Cohesive Energy of N2 molecule   Masoud Nahali
  • [Pw_forum] k-point   Seyed Mojtaba Rezaei Sani
• [Pw_forum] Hello, I have some problemof QE.   yhho
  • [Pw_forum] Hello, I have some problemof QE.   Paolo Giannozzi
  • [Pw_forum] Hello, I have some problemof QE.   Changru Ma
  • [Pw_forum] Hello, I have some problemof QE.   Giovanni Cantele
• [Pw_forum] cohesive energy of water/ice   Martin Andersson
  • [Pw_forum] cohesive energy of water/ice   Emine Kucukbenli
    • [Pw_forum] cohesive energy of water/ice   Martin Andersson
      • [Pw_forum] cohesive energy of water/ice   Juan Manuel Lopez
    • [Pw_forum] cohesive energy of water/ice   Emine Kucukbenli
      • [Pw_forum] cohesive energy of water/ice   Martin Andersson
• [Pw_forum] Magnetization   Padmaja Patnaik
  • [Pw_forum] Magnetization   Giovanni Cantele
• [Pw_forum] phonons in parallel in 4.3   matthieu verstraete
  • [Pw_forum] phonons in parallel in 4.3   Paolo Giannozzi
• [Pw_forum] electron-phonon interaction in semiconductor   Nandan Tandon
• [Pw_forum] electron-phonon interaction in QE 4.3   Jeffrey M. McMahon
  • [Pw_forum] electron-phonon interaction in QE 4.3   Paolo Giannozzi
  • [Pw_forum] electron-phonon interaction in QE 4.3   Nandan Tandon
  • [Pw_forum] electron-phonon interaction in QE 4.3   Paolo Giannozzi
  • [Pw_forum] electron-phonon interaction in QE 4.3   Nandan Tandon
  • [Pw_forum] electron-phonon interaction in QE 4.3   Andrea Dal Corso
    • [Pw_forum] electron-phonon interaction in QE 4.3   Paolo Giannozzi
• [Pw_forum] grid of spacing k-vectors   germaneau
  • [Pw_forum] grid of spacing k-vectors   Gabriele Sclauzero
• [Pw_forum] Need help to install quantum espresso   Dr. Mahmudur Rahman
  • [Pw_forum] Need help to install quantum espresso   Vit
• [Pw_forum] Pw_forum Digest, Vol 47, Issue 8   Dr. Mahmudur Rahman
• [Pw_forum] band of LDA+U & SOC   kangbugy at lycos.co.kr
• [Pw_forum] smearing   pari shok
  • [Pw_forum] smearing   xirainbow
• [Pw_forum] grid of spacing k-vectors   Eric Germaneau
  • [Pw_forum] grid of spacing k-vectors   Duy Le
    • [Pw_forum] grid of spacing k-vectors   Gabriele Sclauzero
• [Pw_forum] First PWscf GPU-enabled beta-release   Ivan Girotto
  • [Pw_forum] First PWscf GPU-enabled beta-release   Vit
    • [Pw_forum] First PWscf GPU-enabled beta-release   Ivan Girotto
• [Pw_forum] grid of spacing k-vectors   Eric Germaneau
• [Pw_forum] Pw_forum Digest, Vol 47, Issue 22   Dr. Mahmudur Rahman
  • [Pw_forum] Pw_forum Digest, Vol 47, Issue 22   Paolo Giannozzi
• [Pw_forum] The question about difference between diamond and graphite   Alexander G. Kvashnin
  • [Pw_forum] The question about difference between diamond and graphite   Gabriele Sclauzero
  • [Pw_forum] The question about difference between diamond and graphite   Gabriele Sclauzero
• [Pw_forum] the unit of DOS   mashiat alaaii
  • [Pw_forum] the unit of DOS   Giovanni Cantele
  • [Pw_forum] the unit of DOS   Ramesh Kumar
    • [Pw_forum] the unit of DOS   Ramesh Kumar
    • [Pw_forum] the unit of DOS   Giovanni Cantele
    • [Pw_forum] the unit of DOS   Iurii TIMROV
    • [Pw_forum] the unit of DOS   Giovanni Cantele
    • [Pw_forum] the unit of DOS   Iurii TIMROV
  • [Pw_forum] the unit of DOS   xirainbow
• [Pw_forum] why K-X point of phonon dispersion is wrong?   lucking-pine
  • [Pw_forum] why K-X point of phonon dispersion is wrong?   Eyvaz Isaev
    • [Pw_forum] why K-X point of phonon dispersion is wrong?   lucking-pine
      • [Pw_forum] why K-X point of phonon dispersion is wrong?   Eyvaz Isaev
      • [Pw_forum] why K-X point of phonon dispersion is wrong?   lucking-pine
      • [Pw_forum] why K-X point of phonon dispersion is wrong?   Eyvaz Isaev
      • [Pw_forum] why K-X point of phonon dispersion is wrong?   lucking-pine
• [Pw_forum] STM images 'tfcao'   Cao TF
• [Pw_forum] making a supercell   pari shok
  • [Pw_forum] making a supercell   Lars Matthes
    • [Pw_forum] making a supercell   Lars Matthes
• [Pw_forum] electron-phonon interaction in QE 4.3   W2AGZ
  • [Pw_forum] electron-phonon interaction in QE 4.3   Paolo Giannozzi
• [Pw_forum] Problem with pseudopotential   W2AGZ
• [Pw_forum] Doubt in band plot   Padmaja Patnaik
  • [Pw_forum] Doubt in band plot   xirainbow
• [Pw_forum] Phonon frequency of Body centred cubic strucure   mayank gupta
  • [Pw_forum] Phonon frequency of Body centred cubic strucure   Merlin Meheut
  • [Pw_forum] Relaxed Graphene Nanoribbon   swapnil chandratre
    • [Pw_forum] Relaxed Graphene Nanoribbon   Giovanni Cantele
    • [Pw_forum] Relaxed Graphene Nanoribbon   mousumi uk
      • [Pw_forum] Relaxed Graphene Nanoribbon   Arles V. Gil Rebaza
      • [Pw_forum] Relaxed Graphene Nanoribbon   swapnil chandratre
      • [Pw_forum] Relaxed Graphene Nanoribbon   Arles V. Gil Rebaza
• [Pw_forum] charge density   vicky singh
  • [Pw_forum] charge density   xirainbow
    • [Pw_forum] Phonon frequency of Body centred cubic strucure   mayank gupta
• [Pw_forum] charge density   Masoud Nahali
  • [Pw_forum] charge density   vicky singh
    • [Pw_forum] charge density   vicky singh
    • [Pw_forum] charge density   vicky singh
• [Pw_forum] Error Installing XCrysden   swapnil chandratre
  • [Pw_forum] Error Installing XCrysden   Tone Kokalj
    • [Pw_forum] Error Installing XCrysden   swapnil chandratre
  • [Pw_forum] problems with variables in US pseudopotential generation   Tram Bui
    • [Pw_forum] problems with variables in US pseudopotential generation   Emine Kucukbenli
    • [Pw_forum] problems with variables in US pseudopotential generation   Lorenzo Paulatto
• [Pw_forum] SVN versus CVS   Suza W
  • [Pw_forum] SVN versus CVS   Paolo Giannozzi
• [Pw_forum] optimizing of celldm(1) and celldm(3)   faride heydari
• [Pw_forum] error during vc-relax   mayank gupta
  • [Pw_forum] Negative phonon frequency   mayank gupta
    • [Pw_forum] Negative phonon frequency   Duy Le
      • [Pw_forum] Negative phonon frequency   mohnish pandey
• [Pw_forum] warning in SCF run   mayank gupta
• [Pw_forum] The question about difference between diamond and graphite   martins at if.uff.br
• [Pw_forum] matdyn.x   S. K. S.
  • [Pw_forum] matdyn.x   Stefano de Gironcoli
    • [Pw_forum] matdyn.x   S. K. S.
• [Pw_forum] Strained Graphene Nanoribbon   swapnil chandratre
  • [Pw_forum] Strained Graphene Nanoribbon   Paolo Giannozzi
  • [Pw_forum] Strained Graphene Nanoribbon   swapnil chandratre
  • [Pw_forum] Strained Graphene Nanoribbon   Paolo Giannozzi
  • [Pw_forum] Strained Graphene Nanoribbon   swapnil chandratre
  • [Pw_forum] Strained Graphene Nanoribbon   Arles V. Gil Rebaza
  • [Pw_forum] Strained Graphene Nanoribbon   swapnil chandratre
  • [Pw_forum] Strained Graphene Nanoribbon   Ricardo Faccio
  • [Pw_forum] Strained Graphene Nanoribbon   Arles V. Gil Rebaza
• [Pw_forum] Can pwscf calculate the structure of charged slab ?   taoohee
  • [Pw_forum] Can pwscf calculate the structure of charged slab ?   xirainbow
    • [Pw_forum] Can pwscf calculate the structure of charged slab ?   Giuseppe Mattioli
  • [Pw_forum] CELL PARAMETERS   昶棘汐
    • [Pw_forum] CELL PARAMETERS   Paolo Giannozzi
    • [Pw_forum] CELL PARAMETERS   昶棘汐
    • [Pw_forum] CELL PARAMETERS   Paolo Giannozzi
  • [Pw_forum] Warning in PW.x run   mayank gupta
    • [Pw_forum] Warning in PW.x run   Gabriele Sclauzero
    • [Pw_forum] Error Installing XCrysden   ramesh kumar
  • [Pw_forum] Problem in paralization with QE4.3   S. K. S.
    • [Pw_forum] Problem in paralization with QE4.3   Paolo Giannozzi
  • [Pw_forum] UPF PAW with Atompaw   hichem bouderba
    • [Pw_forum] UPF PAW with Atompaw   Lorenzo Paulatto
      • [Pw_forum] UPF PAW with Atompaw   hichem bouderba
      • [Pw_forum] UPF PAW with Atompaw   hichem bouderba
      • [Pw_forum] UPF PAW with Atompaw   Paolo Giannozzi
      • [Pw_forum] UPF PAW with Atompaw   hichem bouderba
      • [Pw_forum] UPF PAW with Atompaw   Lorenzo Paulatto
      • [Pw_forum] UPF PAW with Atompaw   hichem bouderba
      • [Pw_forum] UPF PAW with Atompaw   Lorenzo Paulatto
      • [Pw_forum] UPF PAW with Atompaw   hichem bouderba
• [Pw_forum] WARNING :: NEGATIVE RHO UP DOWN   mayank gupta
  • [Pw_forum] WARNING :: NEGATIVE RHO UP DOWN   Paolo Giannozzi
  • [Pw_forum] 12 Beryllium atoms in the unit cell   Amin Torabi
    • [Pw_forum] 12 Beryllium atoms in the unit cell   Stefano de Gironcoli
  • [Pw_forum] non degenerate phonon frequency for cubic crystal along 1 0 0   mayank gupta
    • [Pw_forum] non degenerate phonon frequency for cubic crystal along 1 0 0   Paolo Giannozzi
    • [Pw_forum] non degenerate phonon frequency for cubic crystal along 1 0 0   Stefano de Gironcoli
• [Pw_forum] Script for MP grid sampling test.   Hongsheng Zhao
• [Pw_forum] Problem with PP codes   martins at if.uff.br
  • [Pw_forum] Problem with PP codes   Paolo Giannozzi
• [Pw_forum] error in post procesing with temp file   vicky singh
• [Pw_forum] charge density   Masoud Nahali
  • [Pw_forum] Graphene Nanoribbon   swapnil chandratre
    • [Pw_forum] Graphene Nanoribbon   Ari P Seitsonen
      • [Pw_forum] Graphene Nanoribbon   swapnil chandratre
• [Pw_forum] relaxation doesn't keep the Wyckoff relation between related atoms.   mayank gupta
  • [Pw_forum] relaxation doesn't keep the Wyckoff relation between related atoms.   Paolo Giannozzi
• [Pw_forum] relaxation doesn't keep the Wyckoff relation   mayank gupta
  • [Pw_forum] relaxation doesn't keep the Wyckoff relation   Stefano de Gironcoli
  • [Pw_forum] relaxation doesn't keep the Wyckoff relation   Stefano de Gironcoli
  • [Pw_forum] Relaxation Simulation   swapnil chandratre
    • [Pw_forum] Relaxation Simulation   Stefano de Gironcoli
• [Pw_forum] Relaxation giving negative relative coordinates.   Christopher Heard
  • [Pw_forum] Relaxation giving negative relative coordinates.   Stefano de Gironcoli
• [Pw_forum] Relaxation giving negative relative coordinates. / Chris Heard   Christopher Heard
  • [Pw_forum] LDOS on x-y direction, perpendicular to z   mashiat alaaii
    • [Pw_forum] LDOS on x-y direction, perpendicular to z   Guido Fratesi
    • [Pw_forum] transition state doesn't converge   Fen Hong
      • [Pw_forum] Graphene Nanoribbon   Giovanni Cantele
• [Pw_forum] EE namelist   martins at if.uff.br
  • [Pw_forum] EE namelist   Oliviero Andreussi
• [Pw_forum] vc-relax with nspin=2 . Crashin   m.g.p.krishna at chem.leidenuniv.nl
  • [Pw_forum] vc-relax with nspin=2 . Crashin   Paolo Giannozzi
  • [Pw_forum] How to restart md calculation using pw.x   willy kohn
    • [Pw_forum] How to restart md calculation using pw.x   Changru Ma
    • [Pw_forum] How to restart md calculation using pw.x   willy kohn
    • [Pw_forum] How to restart md calculation using pw.x   Paolo Giannozzi
    • [Pw_forum] How to restart md calculation using pw.x   willy kohn
    • [Pw_forum] How to restart md calculation using pw.x   Paolo Giannozzi
    • [Pw_forum] Generating the Cs ultrasoft PP   Tram Bui
      • [Pw_forum] Generating the Cs ultrasoft PP   Nicola Marzari
      • [Pw_forum] Generating the Cs ultrasoft PP   Emine Kucukbenli
• [Pw_forum] vc-relax with nspin=2 . Crashin   m.g.p.krishna at chem.leidenuniv.nl
  • [Pw_forum] pwscf: energy convergence of noncollinear with spin-orbit calculations   German Samolyuk
  • [Pw_forum] LDA PZ USPP for Mg   S. K. S.
• [Pw_forum] relaxed structure   mayank gupta
  • [Pw_forum] relaxed structure   Paolo Giannozzi
  • [Pw_forum] relaxed structure   Максим Попов
• [Pw_forum] How to restart md calculation using pw.x   Eric Germaneau
• [Pw_forum] mixing pseudopotentials using virtual.x   da wang
  • [Pw_forum] mixing pseudopotentials using virtual.x   Emine Kucukbenli
  • [Pw_forum] Error message from scf calculation   Tram Bui
    • [Pw_forum] Error message from scf calculation   Paolo Giannozzi
    • [Pw_forum] Error message from scf calculation   Tram Bui
    • [Pw_forum] Error message from scf calculation   Duy Le
    • [Pw_forum] Error message from scf calculation   Duy Le
• [Pw_forum] Phonons with constrained Magnetisation & espresso-4.3   Bipul Rakshit
• [Pw_forum] relaxed structure   Eric Germaneau
• [Pw_forum] Is it possiable to do MP grid test based on grid density within pwscf?   Hongsheng Zhao
  • [Pw_forum] Is it possiable to do MP grid test based on grid density within pwscf?   Paolo Giannozzi
• [Pw_forum] vc-relax - negative and non-zero cell parameters   Christopher Heard
  • [Pw_forum] vc-relax - negative and non-zero cell parameters   Максим Попов
    • [Pw_forum] ?spam? Re: vc-relax - negative and non-zero cell parameters   Christopher Heard
    • [Pw_forum] vc-relax - negative and non-zero cell parameters   Paolo Giannozzi
    • [Pw_forum] vc-relax - negative and non-zero cell parameters   Christopher Heard
    • [Pw_forum] ?spam? Re: vc-relax - negative and non-zero cell parameters   Максим Попов
    • [Pw_forum] ?spam? Re: vc-relax - negative and non-zero cell parameters   Stefano de Gironcoli
• [Pw_forum] GPU-enabled   S. D. Wang
  • [Pw_forum] GPU-enabled   Ali Tavana
    • [Pw_forum] GPU-enabled   Davide Ceresoli
• [Pw_forum] Nodes Hang bcoz of High IO's   Bipul Rakshit
  • [Pw_forum] Nodes Hang bcoz of High IO's   Paolo Giannozzi
  • [Pw_forum] G-vectors   S. D. Wang
    • [Pw_forum] G-vectors   Stefano de Gironcoli
• [Pw_forum] q-points unit   Seyed Mojtaba Rezaei Sani
  • [Pw_forum] q-points unit   Stefano de Gironcoli
    • [Pw_forum] q-points unit   Seyed Mojtaba Rezaei Sani
      • [Pw_forum] q-points unit   Stefano de Gironcoli
      • [Pw_forum] q-points unit   Seyed Mojtaba Rezaei Sani
      • [Pw_forum] q-points unit   Paolo Giannozzi
      • [Pw_forum] q-points unit   Seyed Mojtaba Rezaei Sani
• [Pw_forum] Error computing berry phase   swapnil chandratre
  • [Pw_forum] Error computing berry phase   Paolo Giannozzi
  • [Pw_forum] Error computing berry phase   swapnil chandratre
  • [Pw_forum] Error computing berry phase   Paolo Giannozzi
  • [Pw_forum] Error computing berry phase   swapnil chandratre
  • [Pw_forum] I added you as a friend on Quepasa.com   drbaliram lone
  • [Pw_forum] I added you as a friend on Quepasa.com   drbaliram lone
• [Pw_forum] constrained cell optimization   Seyed Mojtaba Rezaei Sani
• [Pw_forum] "Not orthogonal operation" error in vc-relax optimization   Seyed Mojtaba Rezaei Sani
  • [Pw_forum] "Not orthogonal operation" error in vc-relax optimization   mohnish pandey
• [Pw_forum] Yb pseudo   Sanjeev Gupta
  • [Pw_forum] Yb pseudo   Gabriele Sclauzero
• [Pw_forum] constrained cell optimization   Eric Germaneau
• [Pw_forum] box size in example03   Amin Torabi
  • [Pw_forum] box size in example03   Duy Le
  • [Pw_forum] box size in example03   Stefano de Gironcoli
    • [Pw_forum] installing QE   vicky singh
      • [Pw_forum] installing QE   GAO Zhe
      • [Pw_forum] installing QE   vicky singh
• [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3   Cristian Degli Esposti Boschi
  • [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3   Paolo Giannozzi
  • [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3   Duy Le
  • [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3   Paolo Giannozzi
  • [Pw_forum] Minor problem in tests and cptests scripts for QE 4.3   Duy Le
• [Pw_forum] K point in matdyn.x   Mahdi Mirnezhad
  • [Pw_forum] K point in matdyn.x   mohnish pandey
    • [Pw_forum] K point in matdyn.x   Mahdi Mirnezhad
• [Pw_forum] Single point energy calculation within PWSCF.   Hongsheng Zhao
  • [Pw_forum] Single point energy calculation within PWSCF.   Michael Sullivan
  • [Pw_forum] Single point energy calculation within PWSCF.   mohnish pandey
    • [Pw_forum] Single point energy calculation within PWSCF.   Hongsheng Zhao
      • [Pw_forum] Single point energy calculation within PWSCF.   Emine Kucukbenli
      • [Pw_forum] Single point energy calculation within PWSCF.   Hongsheng Zhao
• [Pw_forum] installing QE   Eric Germaneau
  • [Pw_forum] installing QE   vicky singh
    • [Pw_forum] Quantum Espresso v.4.3.1   Paolo Giannozzi
• [Pw_forum] Insufficient q-points be calculated by phonon calculation   Seyed Mojtaba Rezaei Sani
  • [Pw_forum] Insufficient q-points be calculated by phonon calculation   Lorenzo Paulatto
    • [Pw_forum] Insufficient q-points be calculated by phonon calculation   Seyed Mojtaba Rezaei Sani
      • [Pw_forum] Insufficient q-points be calculated by phonon calculation   Lorenzo Paulatto
      • [Pw_forum] Insufficient q-points be calculated by phonon calculation   Seyed Mojtaba Rezaei Sani
      • [Pw_forum] Insufficient q-points be calculated by phonon calculation   Stefano de Gironcoli
      • [Pw_forum] Insufficient q-points be calculated by phonon calculation   lucking-pine
      • [Pw_forum] Insufficient q-points be calculated by phonon calculation   Seyed Mojtaba Rezaei Sani
      • [Pw_forum] Insufficient q-points be calculated by phonon calculation   Lorenzo Paulatto
• [Pw_forum] installing QE   Eric Germaneau
  • [Pw_forum] installing QE   Sanjeev Gupta
    • [Pw_forum] installing QE   vicky singh
• [Pw_forum] Pseudo-potential testing   Tram Bui
  • [Pw_forum] Pseudo-potential testing   Tram Bui
    • [Pw_forum] Pseudo-potential testing   Gabriele Sclauzero
    • [Pw_forum] Pseudo-potential testing   Tram Bui
    • [Pw_forum] Pseudo-potential testing   Gabriele Sclauzero
• [Pw_forum] PlotPhon run example failed!   lucking-pine
  • [Pw_forum] PlotPhon run example failed!   GAO Zhe
• [Pw_forum] accuracy of calculated phonon frequency   mayank gupta
• [Pw_forum] Caculation of Graphene's phonon dispersion and pdos   yhho
  • [Pw_forum] Caculation of Graphene's phonon dispersion and pdos   GAO Zhe
• [Pw_forum] Hybrid XC with USP   priyanka goud
  • [Pw_forum] Hybrid XC with USP   Gabriele Sclauzero
  • [Pw_forum] Hybrid XC with USP   priyanka goud
  • [Pw_forum] Hybrid XC with USP   Gabriele Sclauzero
  • [Pw_forum] very high pressure in scf   Sanjay D. Gupta
    • [Pw_forum] very high pressure in scf   Максим Попов
      • [Pw_forum] very high pressure in scf   Sanjeev Gupta
      • [Pw_forum] very high pressure in scf   Duy Le
      • [Pw_forum] very high pressure in scf   Stefano de Gironcoli
      • [Pw_forum] very high pressure in scf   Sanjeev Gupta
      • [Pw_forum] very high pressure in scf   Stefano de Gironcoli
      • [Pw_forum] very high pressure in scf   Sanjeev Gupta
      • [Pw_forum] very high pressure in scf   Gabriele Sclauzero
      • [Pw_forum] very high pressure in scf   Sanjeev Gupta
      • [Pw_forum] very high pressure in scf   Stefano Baroni
      • [Pw_forum] very high pressure in scf   Sanjeev Gupta
      • [Pw_forum] very high pressure in scf   Paolo Giannozzi
      • [Pw_forum] very high pressure in scf   Duy Le
      • [Pw_forum] very high pressure in scf   Stefano de Gironcoli
      • [Pw_forum] Postdoctoral Research Position: Ab-Initio Dynamics of Condensed Matter   Thomas Kühne
  • [Pw_forum] Running parallel in some example of 2 cup is wrong?   lucking-pine
    • [Pw_forum] Running parallel in some example of 2 cup is wrong?   Duy Le
    • [Pw_forum] Running parallel in some example of 2 cup is wrong?   GAO Zhe
      • [Pw_forum] Running parallel in some example of 2 cup is wrong?   lucking-pine
  • [Pw_forum] c_bands : eigenvalues not converged   Elie Moujaes
• [Pw_forum] is there a way to find the edge of conduction band from fermi level?   mashiat alaaii
  • [Pw_forum] is there a way to find the edge of conduction band from fermi level?   Giuseppe Mattioli
• [Pw_forum] How to obtain the excition binding energy of ZnO using pwscf?   红生 赵
  • [Pw_forum] How to obtain the excition binding energy of ZnO using pwscf?   Giuseppe Mattioli
    • [Pw_forum] How to obtain the excition binding energy of ZnO using pwscf?   Stefano Baroni
• [Pw_forum] LO-TO splitting   Bipul Rakshit
  • [Pw_forum] LO-TO splitting   xirainbow
• [Pw_forum] How to obtain the binding energy ( in the unit of eV/Zn-O pair ) for Wurtsite ZnO?   红生 赵
  • [Pw_forum] How to obtain the binding energy ( in the unit of eV/Zn-O pair ) for Wurtsite ZnO?   mohnish pandey
    • [Pw_forum] How to obtain the binding energy ( in the unit of eV/Zn-O pair ) for Wurtsite ZnO?   Hongsheng Zhao
• [Pw_forum] Dear Users   ANUP THOMAS
  • [Pw_forum] Dear Users   Giuseppe Mattioli
• [Pw_forum] energy/force/stress obtained from scf versus vc-relax   Amin Torabi
  • [Pw_forum] energy/force/stress obtained from scf versus vc-relax   xirainbow
• [Pw_forum] Electro-optical coefficients   Antonio
  • [Pw_forum] Electro-optical coefficients   Paolo Giannozzi
  • [Pw_forum] Invitation to connect on LinkedIn   BAC PHUNG via LinkedIn
    • [Pw_forum] HSE   Leonardo Matheus Marion Jorge
• [Pw_forum] NEB error: unexpected dimension in ngg   Egbert Barnard
  • [Pw_forum] NEB error: unexpected dimension in ngg   Paolo Giannozzi
• [Pw_forum] Insufficient q-points be calculated by phonon calculation   Seyed Mojtaba Rezaei Sani
• [Pw_forum] problem on phonon   bhabya sahoo
  • [Pw_forum] problem on phonon   Sanjeev Gupta
  • [Pw_forum] problem on phonon   bhabya sahoo
    • [Pw_forum] problem on phonon   Stefano de Gironcoli
      • [Pw_forum] problem on phonon   bhabya sahoo
      • [Pw_forum] problem on phonon   bhabya sahoo
  • [Pw_forum] problem on phonon   bhabya sahoo
• [Pw_forum] HSE   hannu.komsa at epfl.ch
• [Pw_forum] question about the convergence of eigenvalues   Lun Yue
  • [Pw_forum] question about the convergence of eigenvalues   Gabriele Sclauzero
• [Pw_forum] The difference between binding energy and cohesive energy.   Hongsheng Zhao
• [Pw_forum] enthalpy in damped dynamic   Amin Torabi
  • [Pw_forum] enthalpy in damped dynamic   Stefano de Gironcoli
  • [Pw_forum] phonon free energy   bhabya sahoo
    • [Pw_forum] phonon free energy   Stefano de Gironcoli
• [Pw_forum] sumpdos.x   Farzad Molani
  • [Pw_forum] sumpdos.x   shu xu
    • [Pw_forum] sumpdos.x   Gabriele Sclauzero
• [Pw_forum] different born effective charges of symmetry related atom   mayank gupta
• [Pw_forum] error in running the espresso-4.3 examples   vicky singh
• [Pw_forum] NEB error: unexpected dimension in ngg   Egbert Barnard
  • [Pw_forum] NEB error: unexpected dimension in ngg   Paolo Giannozzi
• [Pw_forum] How to obtain the binding energy ( in the unit of eV/Zn-O pair ) for Wurtsite ZnO?   Hongsheng Zhao
• [Pw_forum] total energy with GW   Eduardo Ariel Menendez Proupin
  • [Pw_forum] Born effective Charges   mayank gupta
• [Pw_forum] Using mixture of pseudo potential   Vi Vo
  • [Pw_forum] Using mixture of pseudo potential   lucking-pine
    • [Pw_forum] Using mixture of pseudo potential   Vi Vo
    • [Pw_forum] Using mixture of pseudo potential   Duy Le
    • [Pw_forum] Using mixture of pseudo potential   Vi Vo
    • [Pw_forum] Using mixture of pseudo potential   Duy Le
• [Pw_forum] PBE0 convergence   Jie Jiang
• [Pw_forum] FFT grid and cutoff energy.   Nicola Marzari
  • [Pw_forum] FFT grid and cutoff energy.   Duy Le
• [Pw_forum] problem with the pdos calculation   Cao TF
• [Pw_forum] (no subject)   bhabya sahoo

Last message date: Tue May 31 21:42:44 CEST 2011
Archived on: Tue May 31 21:43:17 CEST 2011

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