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• • [Pw_forum] Technique for converging Ecut and K-points? Nicola Marzari
  • [Pw_forum] On Lowdin charges (again) [email protected]
  • [Pw_forum] On Lowdin charges (again) Paolo Giannozzi
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
  • [Pw_forum] Technique for converging Ecut and K-points? Paolo Giannozzi
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
  • [Pw_forum] Technique for converging Ecut and K-points? Stefano Baroni
  • [Pw_forum] Technique for converging Ecut and K-points? Stefano Baroni
  • [Pw_forum] Technique for converging Ecut and K-points? Kucukbenli Emine
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
• [Pw_forum] Question about charged supercell Mahmoud Payami Shabestari
  • [Pw_forum] Question about charged supercell Mahmoud Payami Shabestari
  • [Pw_forum] Question about charged supercell Paolo Giannozzi
  • [Pw_forum] Question about charged supercell Prasenjit Ghosh
  • [Pw_forum] Question about charged supercell Mahmoud Payami Shabestari
  • [Pw_forum] Question about charged supercell Stefano de Gironcoli
  • [Pw_forum] Question about charged supercell Nicola Marzari
  • [Pw_forum] Question about charged supercell Mahmoud Payami Shabestari
  • [Pw_forum] Question about charged supercell Paolo Giannozzi
  • [Pw_forum] Question about charged supercell Paolo Giannozzi
  • [Pw_forum] Question about charged supercell Mahmoud Payami Shabestari
  • [Pw_forum] Question about charged supercell Paolo Giannozzi
  • [Pw_forum] Question about charged supercell Mahmoud Payami Shabestari
  • [Pw_forum] Question about charged supercell Mahmoud Payami Shabestari
• [Pw_forum] "Bad Termination" Error Angga Fauzi
  • [Pw_forum] "Bad Termination" Error Ali KACHMAR
  • [Pw_forum] "Bad Termination" Error Paolo Giannozzi
• [Pw_forum] d projections Sakhrawi Taoufek
  • [Pw_forum] d projections Giuseppe Mattioli
• [Pw_forum] No access to archive search Natalia Pavlenko
• [Pw_forum] pwscf archive engine Ali KACHMAR
  • [Pw_forum] pwscf archive engine Paolo Giannozzi
  • [Pw_forum] Fwd: pwscf archive engine Ali Kachmar
  • [Pw_forum] Fwd: pwscf archive engine Natalia Pavlenko
  • [Pw_forum] Fwd: pwscf archive engine Ali KACHMAR
  • [Pw_forum] Fwd: pwscf archive engine Natalia Pavlenko
  • [Pw_forum] Fwd: pwscf archive engine Axel Kohlmeyer
  • [Pw_forum] Fwd: pwscf archive engine Paolo Giannozzi
• [Pw_forum] heat and quench using BO MD dev pe
  • [Pw_forum] heat and quench using BO MD Stefano de Gironcoli
• [Pw_forum] t2g eg Sakhrawi Taoufek
  • [Pw_forum] t2g eg Matteo Cococcioni
• [Pw_forum] Quantum Espresso features questions David Azevedo
• [Pw_forum] charge density with denser grid and wrong cube file Thomas Gruber
  • [Pw_forum] charge density with denser grid and wrong cube file Paolo Giannozzi
  • [Pw_forum] charge density with denser grid and wrong cube file Thomas Gruber
  • [Pw_forum] charge density with denser grid and wrong cube file Paolo Giannozzi
• [Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential? Wei Zhou
  • [Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential? Andrea Dal Corso
  • [Pw_forum] Can we calculate the electron-phonon coupling using the PAW potential? Wei Zhou
• [Pw_forum] la2F W2AGZ
• [Pw_forum] Advanced Linear Response (Especially Phonons) W2AGZ
  • [Pw_forum] Advanced Linear Response (Especially Phonons) Paolo Giannozzi
• [Pw_forum] DMFT Bloch spectral function Kiss, Ioan
  • [Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2 [email protected]
  • [Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2 Axel Kohlmeyer
  • [Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2 [email protected]
  • [Pw_forum] similar to :cpmd2cube.x -halfmesh -psi WAVEFUNCTION.2 Paolo Giannozzi
  • [Pw_forum] wave function in r mesh and cube format [email protected]
  • [Pw_forum] wave function in r mesh and cube format Paolo Giannozzi
  • [Pw_forum] wave function in r mesh and cube format [email protected]
  • [Pw_forum] wave function in r mesh and cube format Paolo Giannozzi
  • [Pw_forum] wave function in r mesh and cube format [email protected]
  • [Pw_forum] wave function in r mesh and cube format Paolo Giannozzi
  • [Pw_forum] wave function in r mesh and cube format Robert Hembree
• [Pw_forum] phonon density of states calculation of a mono-clinic crystal Matthijs Mentink
  • [Pw_forum] phonon density of states calculation of a mono-clinic crystal Giovanni Pizzi
  • [Pw_forum] phonon density of states calculation of a mono-clinic crystal Paolo Giannozzi
  • [Pw_forum] phonon density of states calculation of a mono-clinic crystal Matthijs Mentink
  • [Pw_forum] phonon density of states calculation of a mono-clinic crystal Giovanni Pizzi
• [Pw_forum] Pw_forum post acknowledgement Feng Tian
• [Pw_forum] Madelung Energy Yavar Taghipour Azar
  • [Pw_forum] Madelung Energy Mahmoud Payami Shabestari
  • [Pw_forum] symmetry not recognized Jennifer Wohlwend
  • [Pw_forum] symmetry not recognized Andrea Dal Corso
  • [Pw_forum] symmetry not recognized Jennifer Wohlwend
  • [Pw_forum] Madelung Energy Ali KACHMAR
  • [Pw_forum] Madelung Energy Mahmoud Payami Shabestari
  • [Pw_forum] Madelung Energy Yavar Taghipour Azar
• [Pw_forum] Error compiling GIPAW Mauro Sgroi
  • [Pw_forum] Error compiling GIPAW Mauro Sgroi
  • [Pw_forum] Error compiling GIPAW Paolo Giannozzi
  • [Pw_forum] Error compiling GIPAW Mauro Sgroi
  • [Pw_forum] Error compiling GIPAW Paolo Giannozzi
  • [Pw_forum] Error compiling GIPAW Mauro Sgroi
• [Pw_forum] calculate the XANES in absolute energy scale using QE Feng Tian
  • [Pw_forum] calculate the XANES in absolute energy scale using QE Giuseppe Mattioli
• [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Karttunen Antti
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Paolo Giannozzi
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Lorenzo Paulatto
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Karttunen Antti
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Andrea Dal Corso
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Karttunen Antti
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Karttunen Antti
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Andrea Dal Corso
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Karttunen Antti
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Andrea Dal Corso
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Karttunen Antti
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Andrea Dal Corso
  • [Pw_forum] ph.x: Avoiding the recalculation of the band structure in distributed phonon dispersion jobs Karttunen Antti
• [Pw_forum] IOTK Errors and Ifort Compilers Ben Palmer
  • [Pw_forum] IOTK Errors and Ifort Compilers Paolo Giannozzi
  • [Pw_forum] IOTK Errors and Ifort Compilers Ben Palmer
  • [Pw_forum] IOTK Errors and Ifort Compilers Ben Palmer
  • [Pw_forum] IOTK Errors and Ifort Compilers Paolo Giannozzi
• [Pw_forum] Reading from standard input freeze on Mac Os X Dmitry Korotin
  • [Pw_forum] Reading from standard input freeze on Mac Os X Ali KACHMAR
  • [Pw_forum] Reading from standard input freeze on Mac Os X Paolo Giannozzi
  • [Pw_forum] Reading from standard input freeze on Mac Os X Dmitry Korotin
• [Pw_forum] Error with neb.x Mauro Sgroi
  • [Pw_forum] Error with neb.x Ali KACHMAR
  • [Pw_forum] Error with neb.x Mauro Sgroi
  • [Pw_forum] Error with neb.x Ali KACHMAR
  • [Pw_forum] Error with neb.x Ali KACHMAR
  • [Pw_forum] Error with neb.x Paolo Giannozzi
  • [Pw_forum] Error with neb.x Mauro Sgroi
• [Pw_forum] About HSE calculations Marcos Veríssimo Alves
  • [Pw_forum] About HSE calculations Paolo Giannozzi
  • [Pw_forum] About HSE calculations Marcos Veríssimo Alves
  • [Pw_forum] About HSE calculations Paolo Giannozzi
  • [Pw_forum] About HSE calculations Layla Martin-Samos
• [Pw_forum] Calculation of the dielectric tensor for PAW+Spin-Orbit (non-magnetic) H. Lee
  • [Pw_forum] Calculation of the dielectric tensor for PAW+Spin-Orbit (non-magnetic) Andrea Dal Corso
• [Pw_forum] MD simulation temperature niladri patra
  • [Pw_forum] MD simulation temperature Ali KACHMAR
  • [Pw_forum] MD simulation temperature niladri patra
  • [Pw_forum] MD simulation temperature Ali KACHMAR
• [Pw_forum] 3D band structure zahra vatankhah
• [Pw_forum] error in make pw, after rev. 9674 Marco Govoni
  • [Pw_forum] error in make pw, after rev. 9674 Simon Binnie
  • [Pw_forum] error in make pw, after rev. 9674 Paolo Giannozzi
  • [Pw_forum] error in make pw, after rev. 9674 Lorenzo Paulatto
  • [Pw_forum] error in make pw, after rev. 9674 Marco Govoni
  • [Pw_forum] error in make pw, after rev. 9674 Paolo Giannozzi
  • [Pw_forum] error in make pw, after rev. 9674 Marco Govoni
  • [Pw_forum] error in make pw, after rev. 9674 Marco Govoni
• [Pw_forum] Disparities between HPC's Jack Davis
  • [Pw_forum] Disparities between HPC's Paolo Giannozzi
  • [Pw_forum] Disparities between HPC's Jack Davis
  • [Pw_forum] Disparities between HPC's Paolo Giannozzi
  • [Pw_forum] Disparities between HPC's Ben Palmer
  • [Pw_forum] Disparities between HPC's Kucukbenli Emine
  • [Pw_forum] Disparities between HPC's Lorenzo Paulatto
  • [Pw_forum] Disparities between HPC's Jack Davis
  • [Pw_forum] Disparities between HPC's Paolo Giannozzi
  • [Pw_forum] Disparities between HPC's Jack Davis
  • [Pw_forum] Disparities between HPC's Paolo Giannozzi
  • [Pw_forum] Disparities between HPC's Ali KACHMAR
  • [Pw_forum] Disparities between HPC's Paolo Giannozzi
  • [Pw_forum] Disparities between HPC's Ali Kachmar
  • [Pw_forum] Disparities between HPC's Jack Davis
  • [Pw_forum] Disparities between HPC's Ali KACHMAR
• [Pw_forum] Does dens grid contain the whole carse grid in calculation of EPI? whwaniphy
• [Pw_forum] Zero point energy correction for energy barrier calculation Pallavi Bothra
  • [Pw_forum] Zero point energy correction for energy barrier calculation mohnish pandey
• [Pw_forum] Workfunction in STM calculation [email protected]
  • [Pw_forum] Workfunction in STM calculation Ali KACHMAR
  • [Pw_forum] Workfunction in STM calculation Gabriele Sclauzero
  • [Pw_forum] Workfunction in STM calculation Paolo Giannozzi
  • [Pw_forum] Workfunction in STM calculation Gabriele Sclauzero
  • [Pw_forum] Workfunction in STM calculation [email protected]
• [Pw_forum] question on parallelism options and scaling factor pascal boulet
  • [Pw_forum] question on parallelism options and scaling factor Paolo Giannozzi
  • [Pw_forum] question on parallelism options and scaling factor pascal boulet
  • [Pw_forum] question on parallelism options and scaling factor Giovanni Pizzi
  • [Pw_forum] question on parallelism options and scaling factor pascal boulet
• [Pw_forum] Problem with pseudo-potential Pt.pbe-n-van.UPF Mostafa Dadras
  • [Pw_forum] Problem with pseudo-potential Pt.pbe-n-van.UPF Paolo Giannozzi
• [Pw_forum] Error in routine regterg (5014): cannot allocate psi vijaya subramanian
  • [Pw_forum] Error in routine regterg (5014): cannot allocate psi Paolo Giannozzi
• [Pw_forum] Question about Work Function calculation nima nariman
  • [Pw_forum] Question about Work Function calculation Ali KACHMAR
• [Pw_forum] Fermi-surface plot Y. L. Li
  • [Pw_forum] Fermi-surface plot Paolo Giannozzi
• [Pw_forum] gamma_only case not implemented error in bands.x Darshana Wickramaratne
  • [Pw_forum] gamma_only case not implemented error in bands.x Paolo Giannozzi
  • [Pw_forum] Pwscf archive Ali Kachmar
  • [Pw_forum] gamma_only case not implemented error in bands.x Ali KACHMAR
  • [Pw_forum] gamma_only case not implemented error in bands.x Darshana Wickramaratne
• [Pw_forum] DOS problem with MoS2 bulk Juliana Mendes
  • [Pw_forum] DOS problem with MoS2 bulk Paolo Giannozzi
  • [Pw_forum] DOS problem with MoS2 bulk Darshana Wickramaratne
• [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
  • [Pw_forum] negative frequency in high q-mesh Paolo Giannozzi
  • [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
  • [Pw_forum] negative frequency in high q-mesh Suza W
  • [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
  • [Pw_forum] negative frequency in high q-mesh Suza W
  • [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
  • [Pw_forum] negative frequency in high q-mesh Lorenzo Paulatto
  • [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
• [Pw_forum] population analysis Yusuf Zuntu
  • [Pw_forum] population analysis Seyed Javad Hashemifar
• [Pw_forum] d3.x with LSDA Sergey Nikolaev
• [Pw_forum] wrong q-point in q2r.x after vc-relax Jingjie Zhang
• [Pw_forum] Restart electron-phonon calculation [email protected]
• [Pw_forum] converting UPF 2.0.1 into old versions John Chan
  • [Pw_forum] converting UPF 2.0.1 into old versions Lorenzo Paulatto
  • [Pw_forum] converting UPF 2.0.1 into old versions John Chan
• [Pw_forum] alignment of computed NMR spectra wrt the experimental one Prasenjit Ghosh

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