March 2011 Archives by thread

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Starting: Tue Mar 1 04:55:51 CET 2011
Ending: Thu Mar 31 23:46:51 CEST 2011
Messages: 339

• [Pw_forum] Bravais lattices & matrix of cell parameters   Eric Germaneau
• [Pw_forum] Conservation of spin on oxygen adsorption   mohnish pandey
  • [Pw_forum] Conservation of spin on oxygen adsorption   Paolo Giannozzi
• [Pw_forum] Invitation to connect on LinkedIn   Cecil Ouma via LinkedIn
• [Pw_forum] Parallel computing   ramesh kumar
  • [Pw_forum] Parallel computing   Lorenzo Paulatto
• [Pw_forum] problems computing cholesky decomposition   Paolo Giannozzi
• [Pw_forum] Lattice constant for copper   Krukau, Aliaksandr
  • [Pw_forum] Lattice constant for copper   Duy Le
    • [Pw_forum] Lattice constant for copper   Krukau, Aliaksandr
    • [Pw_forum] Lattice constant for copper   Eric Germaneau
  • [Pw_forum] Lattice constant for copper   elbuesta at icqmail.com
  • [Pw_forum] Lattice constant for copper   Eric Germaneau
    • [Pw_forum] Lattice constant for copper   Nicola Marzari
    • [Pw_forum] Lattice constant for copper   Nicola Marzari
• [Pw_forum] DOS: tetrahedron method + spin-orbit coupling   Iurii TIMROV
  • [Pw_forum] DOS: tetrahedron method + spin-orbit coupling   Paolo Giannozzi
    • [Pw_forum] DOS: tetrahedron method + spin-orbit coupling   Iurii TIMROV
      • [Pw_forum] DOS: tetrahedron method + spin-orbit coupling   Paolo Giannozzi
      • [Pw_forum] DOS: tetrahedron method + spin-orbit coupling   Iurii TIMROV
      • [Pw_forum] DOS: tetrahedron method + spin-orbit coupling   Paolo Giannozzi
• [Pw_forum] Parallel computing:Lorenzo   ramesh kumar
• [Pw_forum] QHA compiling   Mahdi Mirnezhad
  • [Pw_forum] QHA compiling   Eyvaz Isaev
    • [Pw_forum] QHA compiling   Eyvaz Isaev
      • [Pw_forum] QHA compiling   Mahdi Mirnezhad
      • [Pw_forum] QHA compiling   Eyvaz Isaev
      • [Pw_forum] QHA compiling   Mahdi Mirnezhad
      • [Pw_forum] QHA compiling   Eyvaz Isaev
      • [Pw_forum] QHA compiling   Eyvaz Isaev
      • [Pw_forum] QHA compiling   Mahdi Mirnezhad
      • [Pw_forum] QHA compiling   Stefano Baroni
      • [Pw_forum] QHA compiling   Eyvaz Isaev
• [Pw_forum] Some questions about non-collinear calculation and penalty function   Sahar Mirshamsi
  • [Pw_forum] Some questions about non-collinear calculation and penalty function   Sahar Mirshamsi
    • [Pw_forum] Some questions about non-collinear calculation and penalty function   Sahar Mirshamsi
      • [Pw_forum] Some questions about non-collinear calculation and penalty function   Paolo Giannozzi
  • [Pw_forum] Some questions about non-collinear calculation and penalty function   Gabriele Sclauzero
• [Pw_forum] atomic positions   Abolore Musari
  • [Pw_forum] atomic positions   Stefano de Gironcoli
  • [Pw_forum] atomic positions   Eric Germaneau
• [Pw_forum] PP generation with ld1.x (transition metals with semicore states)   Joe
  • [Pw_forum] PP generation with ld1.x (transition metals with semicore states)   Andrea Dal Corso
    • [Pw_forum] PP generation with ld1.x (transition metals with semicore states)   Joe
      • [Pw_forum] PP generation with ld1.x (transition metals with semicore states)   Andrea Dal Corso
• [Pw_forum] nstep for CPMD average physical quantities   Riping WANG
  • [Pw_forum] nstep for CPMD average physical quantities   Riping WANG
  • [Pw_forum] nstep for CPMD average physical quantities   Paolo Giannozzi
  • [Pw_forum] nstep for CPMD average physical quantities   Nicola Marzari
• [Pw_forum] atomic position in vc-relax CPMD   Riping WANG
  • [Pw_forum] atomic position in vc-relax CPMD   Paolo Giannozzi
• [Pw_forum] PAW potential for Uranium   partha sarathi ghosh
• [Pw_forum] GIPAW fails for large system   Paweł Rejmak
  • [Pw_forum] GIPAW fails for large system   Emine Kucukbenli
• [Pw_forum] SAX   meysam pazoki
• [Pw_forum] Adding an email   Alexander G. Kvashnin
  • [Pw_forum] Adding an email   Gabriele Sclauzero
• [Pw_forum] problem in MPI running of QE (16 processors)   Alexander G. Kvashnin
  • [Pw_forum] problem in MPI running of QE (16 processors)   Eyvaz Isaev
    • [Pw_forum] problem in MPI running of QE (16 processors)   Alexander G. Kvashnin
      • [Pw_forum] problem in MPI running of QE (16 processors)   Duy Le
      • [Pw_forum] problem in MPI running of QE (16 processors)   Eyvaz Isaev
      • [Pw_forum] problem in MPI running of QE (16 processors)   Eric Germaneau
      • [Pw_forum] problem in MPI running of QE (16 processors)   Huiqun Zhou
• [Pw_forum] Ionic forces not reducing   Christopher O'Brien
  • [Pw_forum] Ionic forces not reducing   Gabriele Sclauzero
    • [Pw_forum] Ionic forces not reducing   Paolo Giannozzi
• [Pw_forum] ph.x and Nesting Fermi Surfaces   W2AGZ
  • [Pw_forum] ph.x and Nesting Fermi Surfaces   Miguel Martínez
    • [Pw_forum] ph.x and Nesting Fermi Surfaces   W2AGZ
• [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)   Alexander Kvashnin
  • [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)   Omololu Akin-Ojo
  • [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)   Alexander G. Kvashnin
    • [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)   Duy Le
    • [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)   Huiqun Zhou
      • [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)   Alexander G. Kvashnin
      • [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)   Paolo Giannozzi
      • [Pw_forum] НА: Re: problem in MPI running of QE (16 processors)   Alexander G. Kvashnin
• [Pw_forum] НА: Re: НА: Re: problem in MPI running of QE (16 processors)   Alexander Kvashnin
• [Pw_forum] ecfixed makes the volume different?   Riping WANG
• [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3   Tram Bui
  • [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3   Tram Bui
    • [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3   Duy Le
    • [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3   Paolo Giannozzi
  • [Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3   Paolo Giannozzi
• [Pw_forum] published PBE data   Tram Bui
  • [Pw_forum] published PBE data   Arles V. Gil Rebaza
• [Pw_forum] atomic positions in xsf from cppp.x   Riping WANG
  • [Pw_forum] atomic positions in xsf from cppp.x   Paolo Giannozzi
    • [Pw_forum] atomic positions in xsf from cppp.x   Giovanni La Penna
• [Pw_forum] pseudo potential for Yb and U   partha sarathi ghosh
• [Pw_forum] graphene's band gap   Eric Germaneau
  • [Pw_forum] graphene's band gap   xirainbow
    • [Pw_forum] graphene's band gap   Mehmet Topsakal
  • [Pw_forum] graphene's band gap   Eric Germaneau
    • [Pw_forum] graphene's band gap   Duy Le
    • [Pw_forum] graphene's band gap   Eric Germaneau
      • [Pw_forum] local magnetic moment in non collinear calculations   Cyrille Barreteau
      • [Pw_forum] local magnetic moment in non collinear calculations   Mighfar Imam
      • [Pw_forum] local magnetic moment in non collinear calculations   Paolo Giannozzi
      • [Pw_forum] local magnetic moment in non collinear calculations   Mighfar Imam
      • [Pw_forum] Coverting PDOS from JM basis (spin-orbit, non-colinear case) to LS basis   saqib.javaid at ipcms.u-strasbg.fr
      • [Pw_forum] local magnetic moment in non collinear calculations   Paolo Giannozzi
• [Pw_forum] plotrho.x error   Maryam Jamali
  • [Pw_forum] plotrho.x error   Paolo Giannozzi
• [Pw_forum] Bi pseudopotential   Sven Heiles
  • [Pw_forum] Bi pseudopotential   Sven Heiles
• [Pw_forum] CVS Version download link   Madan Mithra. L. M
  • [Pw_forum] CVS Version download link   Changru Ma
  • [Pw_forum] CVS Version download link   Paolo Giannozzi
• [Pw_forum] Memory usage in Quantum Espresso   Krukau, Aliaksandr
  • [Pw_forum] Memory usage in Quantum Espresso   Paolo Giannozzi
• [Pw_forum] LDA-USPP for Ge   S. K. S.
  • [Pw_forum] LDA-USPP for Ge   Lorenzo Paulatto
• [Pw_forum] number of bands and degenerate states in supercell   pari shok
  • [Pw_forum] number of bands and degenerate states in supercell   Duy Le
  • [Pw_forum] number of bands and degenerate states in supercell   Gabriele Sclauzero
• [Pw_forum] The issue of PWgui-4.2.   Hongsheng Zhao
• [Pw_forum] problem with degauss and magnetization   Thaneshwor Kaloni
  • [Pw_forum] problem with degauss and magnetization   Sanjeev Kumar Gupta
  • [Pw_forum] problem with degauss and magnetization   Ricardo Faccio
  • [Pw_forum] problem with degauss and magnetization   Huiqun Zhou
• [Pw_forum] How to read two wave-functions in one program?   xuhui luo
  • [Pw_forum] How to read two wave-functions in one program?   Paolo Giannozzi
  • [Pw_forum] How to read two wave-functions in one program?   xuhui luo
    • [Pw_forum] How to read two wave-functions in one program?   Paolo Giannozzi
• [Pw_forum] A small bug of QE when nat >= 100, and the solution   lfhuang
  • [Pw_forum] A small bug of QE when nat >= 100, and the solution   Paolo Giannozzi
  • [Pw_forum] A small bug of QE when nat >= 100, and the solution   lfhuang
    • [Pw_forum] A small bug of QE when nat >= 100, and the solution   Paolo Giannozzi
  • [Pw_forum] A small bug of QE when nat >= 100, and the solution   lfhuang
    • [Pw_forum] A small bug of QE when nat >= 100, and the solution   Paolo Giannozzi
      • [Pw_forum] A small bug of QE when nat >= 100, and the solution   Nicola Marzari
      • [Pw_forum] A small bug of QE when nat >= 100, and the solution   juan sotelo
      • [Pw_forum] A small bug of QE when nat >= 100, and the solution   Gabriele Sclauzero
      • [Pw_forum] A small bug of QE when nat >= 100, and the solution   juan sotelo
• [Pw_forum] Phonon Dispersion with LO-TO splitting   Srijan Kumar Saha
  • [Pw_forum] Phonon Dispersion with LO-TO splitting   Eyvaz Isaev
    • [Pw_forum] phonon/reducing the number of normal modes   nazari at iasbs.ac.ir
      • [Pw_forum] phonon/reducing the number of normal modes   Eyvaz Isaev
    • [Pw_forum] Phonon Dispersion with LO-TO splitting   Srijan Kumar Saha
      • [Pw_forum] Phonon Dispersion with LO-TO splitting   Eyvaz Isaev
• [Pw_forum] parallel use of quanum espresso   Ranjit Thapa
• [Pw_forum] parallel   Ranjit Thapa
  • [Pw_forum] parallel   Lorenzo Paulatto
• [Pw_forum] Pw_forum Subscription   Johnson, D. Ray
  • [Pw_forum] Pw_forum Subscription   Stefano de Gironcoli
    • [Pw_forum] Pw_forum Subscription   Paolo Giannozzi
• [Pw_forum] smearing   peyman amiri
  • [Pw_forum] smearing   Максим Попов
    • [Pw_forum] smearing   Iurii TIMROV
      • [Pw_forum] smearing   Duy Le
      • [Pw_forum] smearing   Максим Попов
      • [Pw_forum] smearing   Paolo Giannozzi
    • [Pw_forum] smearing   Alexander G. Kvashnin
      • [Pw_forum] smearing   Paolo Giannozzi
  • [Pw_forum] smearing   Eduardo Ariel Menendez Proupin
• [Pw_forum] sorting phonons by magnitude and band index   lfhuang
• [Pw_forum] interpreting fermi level in smearing scenario   pari shok
• [Pw_forum] spin-orbit coupling   peyman amiri
  • [Pw_forum] spin-orbit coupling   Julen Ibanez Azpiroz
• [Pw_forum] XSpectra on graphite slab   Alain Allouche
  • [Pw_forum] XSpectra on graphite slab   Derek Stewart
    • [Pw_forum] XSpectra on graphite slab   Alain Allouche
  • [Pw_forum] XSpectra on graphite slab   Paolo Giannozzi
    • [Pw_forum] XSpectra on graphite slab   Alain Allouche
  • [Pw_forum] XSpectra on graphite slab   matteo calandra
    • [Pw_forum] XSpectra on graphite slab   Alain Allouche
• [Pw_forum] norm conserving Ti pseudopotential   Tyler Gordon
  • [Pw_forum] norm conserving Ti pseudopotential   Paolo Giannozzi
  • [Pw_forum] norm conserving Ti pseudopotential   Nicola Marzari
    • [Pw_forum] norm conserving Ti pseudopotential   Paolo Giannozzi
      • [Pw_forum] norm conserving Ti pseudopotential   Nicola Marzari
    • [Pw_forum] norm conserving Ti pseudopotential   Derek Stewart
  • [Pw_forum] norm conserving Ti pseudopotential   Martin Andersson
• [Pw_forum] Pw_forum Digest, Vol 45, Issue 31   Ranjit Thapa
  • [Pw_forum] Pw_forum Digest, Vol 45, Issue 31   Paolo Giannozzi
• [Pw_forum] perpendicular saw like potential   vinoth r
• [Pw_forum] saw like potential   vinoth r
  • [Pw_forum] saw like potential   Jan Felix Binder
    • [Pw_forum] saw like potential   vinoth r
  • [Pw_forum] saw like potential   vinoth r
    • [Pw_forum] saw like potential   Stefano de Gironcoli
      • [Pw_forum] saw like potential   vinoth r
• [Pw_forum] Vacancy energy   Phillip Nyawere
• [Pw_forum] vacancy defect   Phillip Nyawere
• [Pw_forum] Error in running bands.x   Alexander G. Kvashnin
  • [Pw_forum] Error in running bands.x   Alexander G. Kvashnin
• [Pw_forum] constrained cell optimization   Eric Germaneau
  • [Pw_forum] constrained cell optimization   Paolo Giannozzi
  • [Pw_forum] constrained cell optimization   Eric Germaneau
• [Pw_forum] Is it possible to fix starting_ns_eigenvalue during many interactions?   Giovani Faccin
• [Pw_forum] problems with current_iq ?   sonu kumar
• [Pw_forum] Pw_forum Digest, Vol 45, Issue 41   bahaareh tavakoli nejad
  • [Pw_forum] UPF=>Abinit (was: Pw_forum Digest, Vol 45, Issue 41)   Paolo Giannozzi
• [Pw_forum] error in the Raman calculation   Wang Di
  • [Pw_forum] error in the Raman calculation   Paolo Giannozzi
  • [Pw_forum] error in the Raman calculation   lfhuang
    • [Pw_forum] error in the Raman calculation   Wang Di
      • [Pw_forum] error in the Raman calculation   Paolo Giannozzi
      • [Pw_forum] error in the Raman calculation   Wang Di
  • [Pw_forum] error in the Raman calculation   lfhuang
    • [Pw_forum] error in the Raman calculation   Wang Di
• [Pw_forum] (no subject)   peyman amiri
  • [Pw_forum] (no subject)   ali kazempour
• [Pw_forum] For help about Quantum Espresso   Liwei Geng
  • [Pw_forum] For help about Quantum Espresso   Nicola Marzari
• [Pw_forum] Doubt in Curie temperature value   Padmaja Patnaik
  • [Pw_forum] Doubt in Curie temperature value   Paolo Giannozzi
  • [Pw_forum] Doubt in Curie temperature value   Cyrille Barreteau
  • [Pw_forum] Doubt in Curie temperature value   Mighfar Imam
  • [Pw_forum] Doubt in Curie temperature value   German Samolyuk
• [Pw_forum] XYZ for K-Points set   Mehrnoosh Hazrati
  • [Pw_forum] XYZ for K-Points set   Serge Nakhmanson
    • [Pw_forum] XYZ for K-Points set   Mehrnoosh Hazrati
  • [Pw_forum] XYZ for K-Points set   Duy Le
• [Pw_forum] core radius of pseudopotential for which matches real wave function   mike at.
  • [Pw_forum] core radius of pseudopotential for which matches real wave function   Eyvaz Isaev
  • [Pw_forum] core radius of pseudopotential for which matches real wave function   Paolo Giannozzi
    • [Pw_forum] core radius of pseudopotential for which matches real wave function   mike at.
      • [Pw_forum] core radius of pseudopotential for which matches real wave function   Paolo Giannozzi
• [Pw_forum] how to test if a generated file of pseudopotential is working or not   Tram Bui
  • [Pw_forum] how to test if a generated file of pseudopotential is working or not   Giovani Faccin
    • [Pw_forum] how to test if a generated file of pseudopotential is working or not   Gabriele Sclauzero
• [Pw_forum] Re : graphite cell optimization failed   Masoud Nahali
• [Pw_forum] compiling QE 4.3a   Alain Allouche
  • [Pw_forum] Fwd: compiling QE 4.3a   Layla Martin-Samos
    • [Pw_forum] Fwd: compiling QE 4.3a   Alain Allouche
  • [Pw_forum] compiling QE 4.3a   Paolo Giannozzi
• [Pw_forum] Help for Calculating Organic Crystal Band Structure   ANUP THOMAS
  • [Pw_forum] Help for Calculating Organic Crystal Band Structure   xirainbow
  • [Pw_forum] Help for Calculating Organic Crystal Band Structure   Paolo Giannozzi
• [Pw_forum] Help for Calculating Organic Crystal Band Structure (ANUP THOMAS)   Thiago Guerra
• [Pw_forum] graphite cell optimization failed   Eric Germaneau
  • [Pw_forum] graphite cell optimization failed   xirainbow
    • [Pw_forum] graphite cell optimization failed   giuseppe.mattioli at mlib.ism.cnr.it
      • [Pw_forum] graphite cell optimization failed   Gabriele Sclauzero
      • [Pw_forum] graphite cell optimization failed   giuseppe.mattioli at mlib.ism.cnr.it
      • [Pw_forum] graphite cell optimization failed   Gabriele Sclauzero
      • [Pw_forum] graphite cell optimization failed   Daniel Forrer
      • [Pw_forum] graphite cell optimization failed   Chenghua Sun
      • [Pw_forum] graphite cell optimization failed   Nicola Marzari
      • [Pw_forum] graphite cell optimization failed   Chenghua Sun
      • [Pw_forum] graphite cell optimization failed   Mehmet Topsakal
      • [Pw_forum] graphite cell optimization failed   Alain Allouche
      • [Pw_forum] graphite cell optimization failed   Eric Germaneau
    • [Pw_forum] graphite cell optimization failed   Eric Germaneau
      • [Pw_forum] graphite cell optimization failed   Paolo Giannozzi
      • [Pw_forum] graphite cell optimization failed   Eric Germaneau
      • [Pw_forum] graphite cell optimization failed   Paolo Giannozzi
      • [Pw_forum] graphite cell optimization failed   Eric Germaneau
      • [Pw_forum] graphite cell optimization failed   Paolo Giannozzi
      • [Pw_forum] graphite cell optimization failed   Eric Germaneau
      • [Pw_forum] graphite cell optimization failed   Paolo Giannozzi
      • [Pw_forum] graphite cell optimization failed   Eric Germaneau
      • [Pw_forum] graphite cell optimization failed   Gabriele Sclauzero
      • [Pw_forum] graphite cell optimization failed   Paolo Giannozzi
      • [Pw_forum] graphite cell optimization failed   Eric Germaneau
      • [Pw_forum] graphite cell optimization failed   Paolo Giannozzi
  • [Pw_forum] graphite cell optimization failed   Cyrille Barreteau
  • [Pw_forum] graphite cell optimization failed   Lorenzo Paulatto
  • [Pw_forum] graphite cell optimization failed   Derek Stewart
    • [Pw_forum] graphite cell optimization failed   Nicola Marzari
      • [Pw_forum] graphite cell optimization failed   Mehmet Topsakal
• [Pw_forum] mistake   曹腾飞
  • [Pw_forum] mistake   Lorenzo Paulatto
• [Pw_forum] calculate third-order derivative of energy by D3   Mingxing Chen
• [Pw_forum] Problem about lattice Relaxation calculation Tengfei Cao   曹腾飞
• [Pw_forum] Born effective charges in spin polarized systems   Davide Sangalli
  • [Pw_forum] Born effective charges in spin polarized systems   Srijan Kumar Saha
    • [Pw_forum] Born effective charges in spin polarized systems   Davide Sangalli
• [Pw_forum] I/O performance on BG/P systems   Gabriele Sclauzero
  • [Pw_forum] I/O performance on BG/P systems   Paolo Giannozzi
    • [Pw_forum] I/O performance on BG/P systems   Gabriele Sclauzero
      • [Pw_forum] I/O performance on BG/P systems   Paolo Giannozzi
      • [Pw_forum] I/O performance on BG/P systems   Gabriele Sclauzero
      • [Pw_forum] I/O performance on BG/P systems   Paolo Giannozzi
• [Pw_forum] Bug report: Segmentation Fault while vc-relax   小S
  • [Pw_forum] Bug report: Segmentation Fault while vc-relax   Paolo Giannozzi
• [Pw_forum] Two limitations of TDDFPT?   jiayudai
  • [Pw_forum] Two limitations of TDDFPT?   Stefano Baroni
  • [Pw_forum] Two limitations of TDDFPT?   jiayudai
    • [Pw_forum] Two limitations of TDDFPT?   Gabriele Sclauzero
    • [Pw_forum] Two limitations of TDDFPT?   Stefano Baroni
• [Pw_forum] relaxation process stopped without reaching the convergence "Tengfei Cao"   曹腾飞
  • [Pw_forum] relaxation process stopped without reaching the convergence "Tengfei Cao"   Chenghua Sun
• [Pw_forum] Is it possible to sitch on SOI and LDA+U ?   Magdalena Birowska
  • [Pw_forum] Is it possible to sitch on SOI and LDA+U ?   Gabriele Sclauzero
• [Pw_forum] moving to Lausanne   Nicola Marzari
• [Pw_forum] geometry optiiztion of metal clusters   Wohlwend, Jennifer L CTR USAF AFMC AFRL/RXBT
  • [Pw_forum] geometry optiiztion of metal clusters   jia chen
  • [Pw_forum] geometry optiiztion of metal clusters   Martin Andersson
    • [Pw_forum] geometry optiiztion of metal clusters   Arles V. Gil Rebaza
• [Pw_forum] about the lambda and the int alpha2F   Wei Zhou
  • [Pw_forum] about the lambda and the int alpha2F   Eyvaz Isaev
    • [Pw_forum] about the lambda and the int alpha2F   Wei Zhou
      • [Pw_forum] about the lambda and the int alpha2F   Wei Zhou
• [Pw_forum] Problem with pseudopotential   Izaak Williamson
  • [Pw_forum] Problem with pseudopotential   Stefano Baroni
  • [Pw_forum] Problem with pseudopotential   Nicola Marzari
  • [Pw_forum] Problem with pseudopotential   Izaak Williamson
    • [Pw_forum] Problem with pseudopotential   Nicola Marzari
      • [Pw_forum] Problem with pseudopotential   Stefano de Gironcoli
  • [Pw_forum] Problem with pseudopotential   Izaak Williamson
• [Pw_forum] K_point selection (tengfei cao)   曹腾飞
  • [Pw_forum] K_point selection (tengfei cao)   shu xu
• [Pw_forum] Error in phonon calculation using matdyn.x   mayank gupta
  • [Pw_forum] Error in phonon calculation using matdyn.x   Eyvaz Isaev
    • [Pw_forum] Error in phonon calculation using matdyn.x   Stefano de Gironcoli
• [Pw_forum] Regarding Pwscf calculation - Organic Monoclinic Crystal   ANUP THOMAS
• [Pw_forum] nl(:) indexes of the FFT grid   Julen Ibanez Azpiroz
  • [Pw_forum] nl(:) indexes of the FFT grid   Paolo Giannozzi
    • [Pw_forum] nl(:) indexes of the FFT grid   Julen Ibanez Azpiroz
• [Pw_forum] gfortran-4.6.0 and 4.3b   balducci at univ.trieste.it
  • [Pw_forum] gfortran-4.6.0 and 4.3b   Paolo Giannozzi
• [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)   Rajan Pandey
  • [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)   Nicola Marzari
    • [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)   Layla Martin-Samos
      • [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)   Rajan Pandey
      • [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)   Leonardo Matheus
      • [Pw_forum] Problem with newly implemented LDA -1/2 in atomic code (ld1)   Rajan Pandey
• [Pw_forum] Fixing starting starting_ns_eigenvalue   Giovani Faccin
  • [Pw_forum] Fixing starting starting_ns_eigenvalue   Gabriele Sclauzero
    • [Pw_forum] Fixing starting starting_ns_eigenvalue   Giovani Faccin
      • [Pw_forum] Fixing starting starting_ns_eigenvalue   Stefano de Gironcoli
• [Pw_forum] Type of pseudo potential using input_dft   Duy Le
  • [Pw_forum] Type of pseudo potential using input_dft   Stefano de Gironcoli
• [Pw_forum] Valence state identification for BaTiO3   Liwei Geng
  • [Pw_forum] Valence state identification for BaTiO3   Nicola Marzari
• [Pw_forum] Pw_forum Digest, Vol 45, Issue 71   mayank gupta
• [Pw_forum] emaxpos   vinoth r
• [Pw_forum] 4.3b at sp.sp6.cineca.it   balducci at univ.trieste.it
  • [Pw_forum] 4.3b at sp.sp6.cineca.it   Paolo Giannozzi
• [Pw_forum] about the degaussq in the calcualtion of phonon coupling   Wei Zhou
  • [Pw_forum] about the degaussq in the calcualtion of phonon coupling   Eyvaz Isaev
    • [Pw_forum] about the degaussq in the calcualtion of phonon coupling   Wei Zhou
• [Pw_forum] Calculational equation of PDOS   xirainbow
  • [Pw_forum] Calculational equation of PDOS   Gabriele Sclauzero
• [Pw_forum] Work function for Al100 in example files   Izaak Williamson

Last message date: Thu Mar 31 23:46:51 CEST 2011
Archived on: Wed Feb 28 11:05:43 CET 2018

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