March 2016 Archives by thread

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Starting: Tue Mar 1 08:45:52 CET 2016
Ending: Thu Mar 31 19:50:08 CEST 2016
Messages: 173

• [Pw_forum] Reference on Ph.x   Kanak Datta
  • [Pw_forum] Reference on Ph.x   Stefano Baroni
• [Pw_forum] How to set the atomic position in ESM model with QE from Yuanqing Wang   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
  • [Pw_forum] How to set the atomic position in ESM model with QE from Yuanqing Wang   Minoru Otani
• [Pw_forum] NaN error in plotbandband.x - error in k-path?   Christoph Wolf(신소재공학과)
  • [Pw_forum] NaN error in plotbandband.x - error in k-path?   Giovanni Cantele
  • [Pw_forum] NaN error in plotbandband.x - error in k-path?   Christoph Wolf(신소재공학과)
• [Pw_forum] Disagreement in vc-relax results between orthogonal and non-orthogonal cell   Sungkwang Mun
  • [Pw_forum] Disagreement in vc-relax results between orthogonal and non-orthogonal cell   Sungkwang Mun
• [Pw_forum] error in bands calculation   lateef mustapha
• [Pw_forum] Raman spectra calculation for ZnO in the examples   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
• [Pw_forum] noncolin variable for scalar relativistic pseudopotentials   Mingchao Wang
  • [Pw_forum] noncolin variable for scalar relativistic pseudopotentials   Josue Itsman Clavijo Penagos
    • [Pw_forum] noncolin variable for scalar relativistic pseudopotentials   Mingchao Wang
      • [Pw_forum] noncolin variable for scalar relativistic pseudopotentials   Lorenzo Paulatto
      • [Pw_forum] noncolin variable for scalar relativistic pseudopotentials   BARRETEAU Cyrille
  • [Pw_forum] noncolin variable for scalar relativistic pseudopotentials   Marrazzo Antimo
• [Pw_forum] nscf run and dos.x - reg   Athul M
  • [Pw_forum] nscf run and dos.x - reg   Jess Wellendorff
    • [Pw_forum] nscf run and dos.x - reg   Athul M
  • [Pw_forum] nscf run and dos.x - reg   Lorenzo Paulatto
• [Pw_forum] HELP   PRATIK DAS
  • [Pw_forum] HELP   Joshua Davis
  • [Pw_forum] HELP   PRATIK DAS
• [Pw_forum] Epsilon calculation for non collinear spin system   Kaustubh Kaluskar
• [Pw_forum] General discussion- Is Quantum espresso good for High Pressure work   Raj kamal
  • [Pw_forum] General discussion- Is Quantum espresso good for High Pressure work   Lazaro Calderin
    • [Pw_forum] General discussion- Is Quantum espresso good for High Pressure work   Nicola Marzari
• [Pw_forum] k_points generation in (crystal_b)   Christoph Wolf(신소재공학과)
• [Pw_forum] Orbital weight for bandstructure calculation in quantum espresso   L.M J
  • [Pw_forum] Orbital weight for bandstructure calculation in quantum espresso   Guido Fratesi
• [Pw_forum] Ultrasoft or Norm conserinvg PP for Ce   Mostafa Youssef
  • [Pw_forum] Ultrasoft or Norm conserinvg PP for Ce   stefano fabris
  • [Pw_forum] Ultrasoft or Norm conserinvg PP for Ce   Mostafa Youssef
• [Pw_forum] nmr chemical shift   Tiana Davide
  • [Pw_forum] nmr chemical shift   Carlo Nervi
• [Pw_forum] ENVIRON vs COSMO solvation models   Giuseppe Mattioli
  • [Pw_forum] ENVIRON vs COSMO solvation models   Oliviero Andreussi
    • [Pw_forum] ENVIRON vs COSMO solvation models   Giuseppe Mattioli
• [Pw_forum] Restart pw.x in a different machine   Malicious Scientist
  • [Pw_forum] Restart pw.x in a different machine   Nicola Marzari
    • [Pw_forum] Restart pw.x in a different machine   Malicious Scientist
      • [Pw_forum] Restart pw.x in a different machine   Joshua Davis
      • [Pw_forum] Restart pw.x in a different machine   Malicious Scientist
      • [Pw_forum] Restart pw.x in a different machine   Paolo Giannozzi
• [Pw_forum] Shifted_Vs_Unshifted   Mofrad, Amir Mehdi (MU-Student)
  • [Pw_forum] Shifted_Vs_Unshifted   Lorenzo Paulatto
    • [Pw_forum] Shifted_Vs_Unshifted   Ari P Seitsonen
      • [Pw_forum] Shifted_Vs_Unshifted   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] error when calculate ldos   Sun Tao
  • [Pw_forum] error when calculate ldos   Sun Tao
    • [Pw_forum] error when calculate ldos   Paolo Giannozzi
• [Pw_forum] Raman spectra calculation for ZnO in the examples-resubmit   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
  • [Pw_forum] Raman spectra calculation for ZnO in the examples-resubmit   Paolo Giannozzi
• [Pw_forum] ERROR IN ROUTINE CEGTERG   Yenner Bentarcurt
  • [Pw_forum] ERROR IN ROUTINE CEGTERG   Paolo Giannozzi
• [Pw_forum] Possible bug in TB09 MetaGGA   Pedro Miguel Castro Borlido
• [Pw_forum] Bulk Modulus Still present Bug in ev.x line 87   Francesco Pelizza
  • [Pw_forum] Bulk Modulus Still present Bug in ev.x line 87   Paolo Giannozzi
• [Pw_forum] cannot get .projwfc.x bin in 5.x version   efi dwi indari
  • [Pw_forum] cannot get .projwfc.x bin in 5.x version   Ari P Seitsonen
• [Pw_forum] Need to find V-I characteristics of Graphene.   siddheshwar chopra
• [Pw_forum] Effect of Nonlocal Term in rVV10 Functional   Subhodip Chatterjee
• [Pw_forum] magnetic moments vs type of run?   Jaret Qi
• [Pw_forum] scf run error   Mr. Sushant Kumar Behera
  • [Pw_forum] scf run error   Mr. Sushant Kumar Behera
    • [Pw_forum] scf run error   Bramha Pandey
      • [Pw_forum] [<MASS MAIL>]Re: scf run error   Mr. Sushant Kumar Behera
    • [Pw_forum] scf run error   Lorenzo Paulatto
      • [Pw_forum] [<MASS MAIL>]Re: scf run error   Mr. Sushant Kumar Behera
• [Pw_forum] cppp.x calculation shows error   Raj kamal
  • [Pw_forum] cppp.x calculation shows error   Paolo Giannozzi
  • [Pw_forum] cppp.x calculation shows error   shashi bhusan mishra
• [Pw_forum] cpmd -cp.evp output -column doubt   Raj kamal
• [Pw_forum] vcrelax calculation   pranay biswas
• [Pw_forum] MoS2 band   ashkan shekaari
  • [Pw_forum] MoS2 band   Thomas Brumme
    • [Pw_forum] MoS2 band   ashkan shekaari
      • [Pw_forum] MoS2 band   Thomas Brumme
      • [Pw_forum] MoS2 band   ashkan shekaari
      • [Pw_forum] MoS2 band   Ari P Seitsonen
• [Pw_forum] The format of potential file in example Al100 workfunction   Yue-Wen Fang
  • [Pw_forum] The format of potential file in example Al100 workfunction   Giovanni Cantele
    • [Pw_forum] The format of potential file in example Al100 workfunction   Yue-Wen Fang
      • [Pw_forum] The format of potential file in example Al100 workfunction   Giovanni Cantele
      • [Pw_forum] The format of potential file in example Al100 workfunction   Yue-Wen Fang
• [Pw_forum] ESP .cube file for REPEAT (point charges fitting)   Ongari Daniele
  • [Pw_forum] ESP .cube file for REPEAT (point charges fitting)   Paolo Giannozzi
• [Pw_forum] cell_factor for vc_relax calculation   Vishal Gupta
• [Pw_forum] How can I vary temperature for band structure calculations   tomy tunde
  • [Pw_forum] How can I vary temperature for band structure calculations   Nicola Marzari
• [Pw_forum] Regarding PDOS   Mr. Sushant Kumar Behera
• [Pw_forum] Error in routine scale_h (1)   Vishal Gupta
• [Pw_forum] vc-relax problem   David Foster
  • [Pw_forum] vc-relax problem   Lorenzo Paulatto
  • [Pw_forum] vc-relax problem   Paolo Giannozzi
  • [Pw_forum] vc-relax problem   David Foster
  • [Pw_forum] vc-relax problem   Mostafa Youssef
  • [Pw_forum] vc-relax problem   David Foster
• [Pw_forum] error when executing projwfc.x   efi dwi indari
  • [Pw_forum] [MASSMAIL] error when executing projwfc.x   Mr. Sushant Kumar Behera
• [Pw_forum] International Symposium on Material Design & the 11th USPEX Workshop   Davide Ceresoli
• [Pw_forum] (no subject)   Abdullahi Lawal
  • [Pw_forum] (no subject)   Giovanni Cantele
• [Pw_forum] Different outputs in ps and xmgrace plots from plotband.x   Kondaiah Samudrala
• [Pw_forum] Error on band structure plot: only points showing   Ridwan Agbaoye
  • [Pw_forum] Error on band structure plot: only points showing   Giovanni Cantele
• [Pw_forum] Specifying initial velocities in MD   Ilya Ryabinkin
  • [Pw_forum] Specifying initial velocities in MD   Ilya Ryabinkin
• [Pw_forum] cell_dofree   Federico Gallino
• [Pw_forum] error in head.x   jiayu dai
• [Pw_forum] Mailing issue   Vijay Khanal
  • [Pw_forum] Mailing issue   Giuseppe Mattioli
• [Pw_forum] The question about the .xml tag   Valentina Shvets
  • [Pw_forum] The question about the .xml tag   Paolo Giannozzi
    • [Pw_forum] The question about the .xml tag   Paolo Giannozzi
• [Pw_forum] negative occupations in DFT+U for nonmagnetic semiconductor   Mostafa Youssef
  • [Pw_forum] negative occupations in DFT+U for nonmagnetic semiconductor   Stefano de Gironcoli
  • [Pw_forum] negative occupations in DFT+U for nonmagnetic semiconductor   Mostafa Youssef
• [Pw_forum] thermo_pw 0.4 compilation error (test_colors.f90)   Duc-Long Nguyen
• [Pw_forum] citing PSLibrary   Merlin Meheut
  • [Pw_forum] citing PSLibrary   Giuseppe Mattioli
• [Pw_forum] General question on restarted calculation   Cameron Foss
• [Pw_forum] vc_relax calc. stopped converging   Vishal Gupta
  • [Pw_forum] vc_relax calc. stopped converging   Vishal Gupta
• [Pw_forum] TiO2, ZO2 and BaTiO3 nanoclusters   Andrey Chibisov
  • [Pw_forum] TiO2, ZO2 and BaTiO3 nanoclusters   Giuseppe Mattioli
• [Pw_forum] RE : Regarding PDOS   efi dwi indari
• [Pw_forum] Band Diagram: Regarding   Suresh A
  • [Pw_forum] Band Diagram: Regarding   Giovanni Cantele
  • [Pw_forum] Band Diagram: Regarding   Suresh A
• [Pw_forum] xmgrace installation problem   Vijay Khanal
  • [Pw_forum] xmgrace installation problem   Mike Atambo
  • [Pw_forum] xmgrace installation problem   Giovanni Cantele
• [Pw_forum] problem with projwfc calculation   Maria Tassi
  • [Pw_forum] problem with projwfc calculation   Paolo Giannozzi
  • [Pw_forum] problem with projwfc calculation   Maria Tassi
• [Pw_forum] Mis-printing of QE manual about primitive vectors of FCC and BCC?   Tsung-Lung Li
  • [Pw_forum] Mis-printing of QE manual about primitive vectors of FCC and BCC?   Giovanni Cantele
• [Pw_forum] postuler   Ali Abboud
• [Pw_forum] run md using pw.x   wz30304 at mail.ustc.edu.cn
• [Pw_forum] A small question for hard disk requirement.   Shaofeng Wang
• [Pw_forum] Pw_forum Digest, Vol 104, Issue 22   Amreen Bano
  • [Pw_forum] Pw_forum Digest, Vol 104, Issue 22   Nicola Marzari
• [Pw_forum] Fiorentini-Methefessel: Surface energy   Elliot S. MENKAH
  • [Pw_forum] Fiorentini-Methefessel: Surface energy   Ari P Seitsonen
• [Pw_forum] High symmetry Kpoint for band structure calculation for ibrav=-12   Ridwan Agbaoye
• [Pw_forum] Pw_forum Digest, Vol 104, Issue 21   Vijay Khanal
• [Pw_forum] sunpdos.x   Mayank Gupta
  • [Pw_forum] sunpdos.x   Giovanni Cantele
• [Pw_forum] External Magnetic Field   Amreen Bano
• [Pw_forum] ghostview installation   Vijay Khanal
• [Pw_forum] different energy values when toggling on nosym   Ye Luo
• [Pw_forum] problems in gww calculation   jiayu dai
  • [Pw_forum] problems in gww calculation   jiayu dai
    • [Pw_forum] problems in gww calculation   Willy Kohn
  • [Pw_forum] problems in gww calculation   jiayu dai
• [Pw_forum] DFPT Phonon and LDA+U   Ye Luo
• [Pw_forum] about calculation of superconducting Tc   oyxf328
• [Pw_forum] Error in g-vectors   Vipul Shivaji Ghemud
• [Pw_forum] unexpected result of pdos calculation   efi dwi indari
  • [Pw_forum] unexpected result of pdos calculation   Giovanni Cantele
• [Pw_forum] Interface and Vacuum   Sarah Alpine
• [Pw_forum] getting the local Hamiltonian in the PAW base.   eitan eidelstein
• [Pw_forum] Slab config. Input file reg   Muthu V
• [Pw_forum] Generating K points for Wurzite Structure using crystal_b   lateef mustapha
  • [Pw_forum] Generating K points for Wurzite Structure using crystal_b   mkondrin
  • [Pw_forum] Generating K points for Wurzite Structure using crystal_b   Ari P Seitsonen
• [Pw_forum] VC_relax   Vishal Gupta
  • [Pw_forum] VC_relax   Ari P Seitsonen
    • [Pw_forum] VC_relax   Vishal Gupta
      • [Pw_forum] VC_relax   Vincenzo Verdolino
• [Pw_forum] Allocation would exceed memory limit   Mofrad, Amir Mehdi (MU-Student)

Last message date: Thu Mar 31 19:50:08 CEST 2016
Archived on: Wed Feb 28 11:13:09 CET 2018

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