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• • [Pw_forum] PBE-US-pseudopotential Stefano de Gironcoli
• [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run Bramha Pandey
  • [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run Filippo Spiga
  • [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run Bramha Pandey
  • [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run Bramha Pandey
  • [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run Paolo Giannozzi
  • [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run Bramha Pandey
• [Pw_forum] Transmission Amir hosseini
  • [Pw_forum] Transmission Gabriele Sclauzero
• [Pw_forum] Error to run cppp.x for post processing of cp run Bramha Pandey
  • [Pw_forum] Error to run cppp.x for post processing of cp run Paolo Giannozzi
  • [Pw_forum] Error to run cppp.x for post processing of cp run Bramha Pandey
• [Pw_forum] K_POINTS and Monkhorst-pack grids (nq1,nq2,nq3) Ker Park
  • [Pw_forum] K_POINTS and Monkhorst-pack grids (nq1,nq2,nq3) Paolo Giannozzi
• [Pw_forum] Bamidele Ibrahim Adetunji wants to share new pictures with you Bamidele Ibrahim Adetunji
• [Pw_forum] EPW package used with QE Elie M
  • [Pw_forum] EPW package used with QE Marci
  • [Pw_forum] EPW package used with QE Layla Martin-Samos
  • [Pw_forum] EPW package used with QE Elie M
• [Pw_forum] two conventions in postprocessing pp.x Cristian Degli Esposti Boschi
  • [Pw_forum] two conventions in postprocessing pp.x Paolo Giannozzi
• [Pw_forum] cartesian (angstrom) to alat units David Furman
  • [Pw_forum] cartesian (angstrom) to alat units Bodiford, Nelli K
  • [Pw_forum] cartesian (angstrom) to alat units Gisela Bocan
  • [Pw_forum] cartesian (angstrom) to alat units Ari P Seitsonen
• [Pw_forum] cpmd2upf sodium pseudopotentials Ananya Mondal
  • [Pw_forum] cpmd2upf sodium pseudopotentials Paolo Giannozzi
• [Pw_forum] Phonon DOS per polarization Bo Qiu
  • [Pw_forum] Phonon DOS per polarization Lorenzo Paulatto
  • [Pw_forum] Phonon DOS per polarization Bo Qiu
  • [Pw_forum] Phonon DOS per polarization Lorenzo Paulatto
  • [Pw_forum] phonon branch sorting Derek Stewart
• [Pw_forum] HYBRID XC not allowed in non-scf calculations Eduardo Ariel Menendez Proupin
  • [Pw_forum] HYBRID XC not allowed in non-scf calculations Layla Martin-Samos
  • [Pw_forum] HYBRID XC not allowed in non-scf calculations Simon Binnie
  • [Pw_forum] HYBRID XC not allowed in non-scf calculations Layla Martin-Samos
• [Pw_forum] Pseudopotentials for Praseodymium W2AGZ
  • [Pw_forum] Pseudopotentials for Praseodymium Paolo Giannozzi
• [Pw_forum] Questions about the DFPT review paper Caloma Trumica
  • [Pw_forum] Questions about the DFPT review paper Caloma Trumica
  • [Pw_forum] Questions about the DFPT review paper Stefano Baroni
  • [Pw_forum] Questions about the DFPT review paper Lorenzo Paulatto
  • [Pw_forum] Questions about the DFPT review paper Stefano Baroni
• [Pw_forum] average.x pari shok
• [Pw_forum] calculate equation of state in Quantum Espresso David Furman
  • [Pw_forum] calculate equation of state in Quantum Espresso Layla Martin-Samos
• [Pw_forum] CIF to PWSCF Ben Palmer
  • [Pw_forum] CIF to PWSCF Paolo Giannozzi
  • [Pw_forum] CIF to PWSCF Yue-Wen Fang
  • [Pw_forum] CIF to PWSCF Carlo Nervi
  • [Pw_forum] CIF to PWSCF Martin
  • [Pw_forum] CIF to PWSCF mousumi uk
  • [Pw_forum] CIF to PWSCF Eduardo Ariel Menendez Proupin
• [Pw_forum] New espresso-5.0.1-GPU (build2) available for download Filippo Spiga
• [Pw_forum] XSpectra hybrid functional Matteo Calandra
  • [Pw_forum] XSpectra hybrid functional Giuseppe Mattioli
• [Pw_forum] Problem running NEB Giovanni La Penna
  • [Pw_forum] Problem running NEB Paolo Giannozzi
  • [Pw_forum] Problem running NEB Giovanni La Penna
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 59 Amir hosseini
• [Pw_forum] XSpectre hybrid functional Matteo Calandra
  • [Pw_forum] XSpectra hybrid functional Giuseppe Mattioli
• [Pw_forum] xspectra - forrtl: severe (43) Matteo Calandra
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 57 Feng Tian
• [Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure Tram Bui
  • [Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure Stefano Baroni
  • [Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure Tram Bui
  • [Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure Stefano Baroni
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 56 N H Joshi
• [Pw_forum] Hybrid functional & frl PP Jianpeng Liu
• [Pw_forum] Landauer approach Amir hosseini
  • [Pw_forum] Landauer approach Stefano Baroni
  • [Pw_forum] Landauer approach Nicola Marzari
• [Pw_forum] Question Pablo García Risueño
  • [Pw_forum] Question Layla Martin-Samos
  • [Pw_forum] Question Pablo García Risueño
  • [Pw_forum] Question Layla Martin-Samos
  • [Pw_forum] Question Pablo García Risueño
  • [Pw_forum] Question Stefano Baroni
  • [Pw_forum] question Banafshe Noori
  • [Pw_forum] question Seyed Javad Hashemifar
  • [Pw_forum] question Banafshe Noori
• [Pw_forum] Projected DOS in noncollinear calculation Peng Chen
  • [Pw_forum] Projected DOS in noncollinear calculation Stefano Baroni
• [Pw_forum] Can QE do XANES calculations using hybrid functionals Feng Tian
  • [Pw_forum] Can QE do XANES calculations using hybrid functionals Feng Tian
  • [Pw_forum] Can QE do XANES calculations using hybrid functionals Giuseppe Mattioli
• [Pw_forum] xspectra - forrtl: severe (43): file name specification error, unit 14 [email protected]
  • [Pw_forum] xspectra - forrtl: severe (43): file name specification error, unit 14 Paolo Giannozzi
• [Pw_forum] band structure in noncollinear calculation Peng Chen
  • [Pw_forum] band structure in noncollinear calculation Stefano Baroni
  • [Pw_forum] band structure in noncollinear calculation Peng Chen
• [Pw_forum] Hybrid functionals& Wannierisation Jianpeng Liu
  • [Pw_forum] Hybrid functionals& Wannierisation Dmitry Korotin
  • [Pw_forum] Hybrid functionals& Wannierisation Jianpeng Liu
• [Pw_forum] Problem running calculation in version 5.0.1 N H Joshi
  • [Pw_forum] Problem running calculation in version 5.0.1 Bramha Pandey
  • [Pw_forum] Problem running calculation in version 5.0.1 Paolo Giannozzi
• [Pw_forum] SCF convergence test - iteration Ker Park
  • [Pw_forum] SCF convergence test - iteration Layla Martin-Samos
  • [Pw_forum] SCF convergence test - iteration Stefano Baroni
• [Pw_forum] Problem running calculations in version 5.0.1 N H Joshi
  • [Pw_forum] Problem running calculations in version 5.0.1 Sonu Kumar
  • [Pw_forum] Problem running calculations in version 5.0.1 N H Joshi
  • [Pw_forum] Problem running calculations in version 5.0.1 Bramha Pandey
  • [Pw_forum] Problem running calculations in version 5.0.1 Stefano de Gironcoli
• [Pw_forum] SCF converges to different total magnetization values. Yury Vishnevskiy
  • [Pw_forum] SCF converges to different total magnetization values. Paolo Giannozzi
  • [Pw_forum] SCF converges to different total magnetization values. Yura Vishnevskiy
• [Pw_forum] The jobs always cut after couple iterations Ihsan Erikat
  • [Pw_forum] The jobs always cut after couple iterations Lorenzo Paulatto
• [Pw_forum] Phonons in antiferromagnatic materials karan deep
• [Pw_forum] Calculating Work function of a nanoribbon Peeyush Agarwal
• [Pw_forum] IFCs and Difference between unit cell and supercell Jingjie Zhang
  • [Pw_forum] IFCs and Difference between unit cell and supercell Paolo Giannozzi
  • [Pw_forum] IFCs and Difference between unit cell and supercell karan deep
  • [Pw_forum] IFCs and Difference between unit cell and supercell Lorenzo Paulatto
  • [Pw_forum] IFCs and Difference between unit cell and supercell Paolo Giannozzi
  • [Pw_forum] IFCs and Difference between unit cell and supercell karan deep
  • [Pw_forum] IFCs and Difference between unit cell and supercell Stefano Baroni
  • [Pw_forum] IFCs and Difference between unit cell and supercell Jingjie Zhang
• [Pw_forum] work-function Saeedeh S Ravandi
• [Pw_forum] very strange compilation error on a bluegene machine Giuseppe Mattioli
  • [Pw_forum] very strange compilation error on a bluegene machine Axel Kohlmeyer
  • [Pw_forum] very strange compilation error on a bluegene machine Giuseppe Mattioli
• [Pw_forum] ph.x high I/O frequency Jiseok Kim
  • [Pw_forum] ph.x high I/O frequency Paolo Giannozzi
• [Pw_forum] Rotation matrix Caloma Trumica
  • [Pw_forum] Rotation matrix Stefano de Gironcoli
• [Pw_forum] example problems David Strubbe
  • [Pw_forum] example problems Andrea Dal Corso
  • [Pw_forum] example problems Paolo Giannozzi
• [Pw_forum] Fwd: SCF with PBE0 missing files Anthony Ruth
  • [Pw_forum] Fwd: SCF with PBE0 missing files Giuseppe Mattioli
• [Pw_forum] charge density units? Gisela Bocan
  • [Pw_forum] charge density units? Paolo Giannozzi
  • [Pw_forum] charge density units? Gisela Bocan
• [Pw_forum] URGENT Surabala Mishra
  • [Pw_forum] urgent Surabala Mishra
  • [Pw_forum] urgent Giuseppe Mattioli
  • [Pw_forum] urgent Guido Fratesi
  • [Pw_forum] urgent Sonu Kumar
• [Pw_forum] Raman spectra Eduardo Ariel Menendez Proupin
• [Pw_forum] How to get optimized celldm parameters? Yura Vishnevskiy
  • [Pw_forum] How to get optimized celldm parameters? Stefano de Gironcoli
  • [Pw_forum] How to get optimized celldm parameters? Alexey Akimov
  • [Pw_forum] How to get optimized celldm parameters? Yura Vishnevskiy
  • [Pw_forum] How to get optimized celldm parameters? Alexey Akimov
• [Pw_forum] Raman spectra Prasenjit Ghosh
• [Pw_forum] plot of band structure somayeh fotohi
  • [Pw_forum] plot of band structure Gabriele Sclauzero
• [Pw_forum] About restarting ph.x calculation James Mao
  • [Pw_forum] About restarting ph.x calculation William Parker
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 34 funmi ayedun
• [Pw_forum] Meatl USPP and light impurity atom Darío Fdez-Pello Lois
  • [Pw_forum] Meatl USPP and light impurity atom Darío Fdez-Pello Lois
  • [Pw_forum] Meatl USPP and light impurity atom Darío Fdez-Pello Lois
  • [Pw_forum] Meatl USPP and light impurity atom Paolo Giannozzi
  • [Pw_forum] Meatl USPP and light impurity atom Darío Fdez-Pello Lois
• [Pw_forum] Total DOS and PDOS Cao TF
  • [Pw_forum] Total DOS and PDOS Guido Fratesi
  • [Pw_forum] Relaxing adatom at z-axis Yusuf Zuntu
  • [Pw_forum] Total DOS and PDOS Cao TF
  • [Pw_forum] Total DOS and PDOS Guido Fratesi
• [Pw_forum] assignment of spin label to electronic band koushik pal
  • [Pw_forum] assignment of spin label to electronic band Paolo Giannozzi
  • [Pw_forum] assignment of spin label to electronic band bamidele ibrahim
• [Pw_forum] Error: At line 230 of file bands_FS.f90 (unit = 5, file = 'stdin') Bramha Pandey
  • [Pw_forum] Error: At line 230 of file bands_FS.f90 (unit = 5, file = 'stdin') Paolo Giannozzi
• [Pw_forum] USPP fully relativistic Suza W
• [Pw_forum] Test wdw1 failed Alexandr Rzhechitskii
  • [Pw_forum] Test wdw1 failed Paolo Giannozzi
  • [Pw_forum] Test wdw1 failed Alexandr Rzhechitskii
  • [Pw_forum] Test wdw1 failed Paolo Giannozzi
• [Pw_forum] Some questions about vibrational modes Torstein Fjermestad
  • [Pw_forum] Some questions about vibrational modes Stefano Baroni
  • [Pw_forum] Some questions about vibrational modes Torstein Fjermestad
• [Pw_forum] vc-md only reach half of target temperature Riping Wang
  • [Pw_forum] vc-md only reach half of target temperature Ranber Thakur
• [Pw_forum] error : US j-average not yet implemented Bramha Pandey
  • [Pw_forum] error : US j-average not yet implemented Andrea Dal Corso
  • [Pw_forum] error : US j-average not yet implemented Bramha Pandey
• [Pw_forum] wrong results from parallel running of ph.x Jia Zhang
  • [Pw_forum] wrong results from parallel running of ph.x Paolo Giannozzi
• [Pw_forum] magnetic moment Sakhrawi Taoufek
  • [Pw_forum] RE : magnetic moment BARRETEAU Cyrille
  • [Pw_forum] magnetic moment Guido Fratesi
  • [Pw_forum] magnetic moment Sakhrawi Taoufek
  • [Pw_forum] magnetic moment Guido Fratesi
  • [Pw_forum] RE : magnetic moment BARRETEAU Cyrille
  • [Pw_forum] Magnetic moment anyy zsj
  • [Pw_forum] Magnetic moment Manoj Narayanan
  • [Pw_forum] Magnetic moment Sclauzero Gabriele
• [Pw_forum] question about DOS-projection Jin Chang
  • [Pw_forum] question about DOS-projection Guido Fratesi
  • [Pw_forum] question about DOS-projection Jin Chang
  • [Pw_forum] question about DOS-projection Guido Fratesi
• [Pw_forum] warning message about matdyn.x Chengyang Li
  • [Pw_forum] warning message about matdyn.x Paolo Giannozzi
  • [Pw_forum] warning message about matdyn.x Chengyang Li

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