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• • [Pw_forum] exit status 137 Paolo Giannozzi
• [Pw_forum] MKL FATAL ERROR Juan J. Meléndez
  • [Pw_forum] MKL FATAL ERROR Paolo Giannozzi
  • [Pw_forum] MKL FATAL ERROR Filippo Spiga
• [Pw_forum] PWSCF, shiva mokhavat has invited you to open a Gmail account shiva mokhavat
• [Pw_forum] Error in routine core_charge_ftr (1): rgrid not allocated Bramha Pandey
• [Pw_forum] Pw_forum Digest, Vol 70, Issue 17 Swati Khatta
  • [Pw_forum] Pw_forum Digest, Vol 70, Issue 17 Bramha Pandey
• [Pw_forum] Re : problem with scf in ruthenium - textbook example Alexander Kulesza
• [Pw_forum] pseudopotential for Hg shiva mokhavat
  • [Pw_forum] pseudopotential for Hg Giuseppe Mattioli
  • [Pw_forum] pseudopotential for Hg shiva mokhavat
• [Pw_forum] frequency analysis for transition state Rui Li
• [Pw_forum] How to construct the Coulomb potential using the ld1.x? Wei Zhou
• [Pw_forum] problem with scf in ruthenium - textbook example Alexander Kulesza
  • [Pw_forum] problem with scf in ruthenium - textbook example Gabriele Sclauzero
  • [Pw_forum] problem with scf in ruthenium - textbook example Kucukbenli Emine
• [Pw_forum] charge density in real space shruti shukla
  • [Pw_forum] charge density in real space Axel Kohlmeyer
  • [Pw_forum] charge density in real space shruti shukla
  • [Pw_forum] charge density in real space Bramha Pandey
  • [Pw_forum] charge density in real space Imam Mighfar
• [Pw_forum] k point grid hybrid functionals "Valentina Dellacà C.R.F. S.C.p.A."
  • [Pw_forum] k point grid hybrid functionals Lorenzo Paulatto
  • [Pw_forum] k point grid hybrid functionals "Valentina Dellacà C.R.F. S.C.p.A."
  • [Pw_forum] k point grid hybrid functionals Lorenzo Paulatto
  • [Pw_forum] k point grid hybrid functionals "Valentina Dellacà C.R.F. S.C.p.A."
• [Pw_forum] Broken pipe in espresso.ppy Jesper Rude Selknæs
  • [Pw_forum] Broken pipe in espresso.ppy Paolo Giannozzi
• [Pw_forum] How to eliminate imaginary phonon frequency by adjust the crystal structure? Miao Gao
• [Pw_forum] How to set "electrons" parameters in ph.x ? xirainbow
  • [Pw_forum] How to set "electrons" parameters in ph.x ? Paolo Giannozzi
  • [Pw_forum] How to set "electrons" parameters in ph.x ? xirainbow
• [Pw_forum] Reg: Not able to get mean square displacements for all atoms Peram sreenivasa reddy
  • [Pw_forum] Reg: Not able to get mean square displacements for all atoms Paolo Giannozzi
• [Pw_forum] Bug in matdyn.f90 xirainbow
  • [Pw_forum] Bug in matdyn.f90 Paolo Giannozzi
• [Pw_forum] band symmetry analysis for Pt (example04 in PP directory) Miao Gao
  • [Pw_forum] band symmetry analysis for Pt (example04 in PP directory) Paolo Giannozzi
  • [Pw_forum] band symmetry analysis for Pt (example04 in PP directory) Miao Gao
• [Pw_forum] Two vacuum energies with dipole correction N H Joshi
  • [Pw_forum] Two vacuum energies with dipole correction Ali KACHMAR
  • [Pw_forum] Two vacuum energies with dipole correction N H Joshi
  • [Pw_forum] Two vacuum energies with dipole correction Ali KACHMAR
  • [Pw_forum] Two vacuum energies with dipole correction Ari P Seitsonen
  • [Pw_forum] Two vacuum energies with dipole correction Ali KACHMAR
  • [Pw_forum] Two vacuum energies with dipole correction Paolo Giannozzi
• [Pw_forum] ionic temperature in CP Jin Qu
  • [Pw_forum] ionic temperature in CP Nicola Marzari
  • [Pw_forum] ionic temperature in CP Antonio Tilocca
  • [Pw_forum] ionic temperature in CP Jin Qu
• [Pw_forum] A question about finite homogeneous electric field wanghongwei0730
• [Pw_forum] Coursera promotes a course for HPC Filippo Spiga
• [Pw_forum] band symmetry analysis for Pt (example04 in PP directory) Miao Gao
  • [Pw_forum] band symmetry analysis for Pt (example04 in PP directory) Paolo Giannozzi
• [Pw_forum] pw_forum list raha khalili
• [Pw_forum] projwfc.x Sakhrawi Taoufek
  • [Pw_forum] projwfc.x Lorenzo Paulatto
  • [Pw_forum] projwfc.x Giovanni Cantele
  • [Pw_forum] projwfc.x Paolo Giannozzi
  • [Pw_forum] projwfc.x Bertrand SITAMTZE
• [Pw_forum] neb-GPU Eugenio Furtado
  • [Pw_forum] neb-GPU Eugenio Furtado
  • [Pw_forum] neb-GPU Filippo Spiga
  • [Pw_forum] neb-GPU Eugenio Furtado
  • [Pw_forum] neb-GPU Filippo Spiga
• [Pw_forum] Relaxation says max steps reached despite changing nsteps Alejandro Suarez
  • [Pw_forum] Relaxation says max steps reached despite changing nsteps mohnish pandey
• [Pw_forum] compatibility between pseudopotential choice and input_dft token Cristian Degli Esposti Boschi
  • [Pw_forum] compatibility between pseudopotential choice and input_dft token Paolo Giannozzi
• [Pw_forum] Parity of electronic wave function koushik pal
  • [Pw_forum] Parity of electronic wave function Paolo Giannozzi
• [Pw_forum] orbital charge density plot from hybrid calculation Junhyeok Bang
  • [Pw_forum] orbital charge density plot from hybrid calculation Paolo Giannozzi
  • [Pw_forum] orbital charge density plot from hybrid calculation Junhyeok Bang
  • [Pw_forum] orbital charge density plot from hybrid calculation Paolo Giannozzi
  • [Pw_forum] orbital charge density plot from hybrid calculation Junhyeok Bang
• [Pw_forum] S matrix not positive definite farouk boutaiba
  • [Pw_forum] S matrix not positive definite mohnish pandey
• [Pw_forum] Noncolinear calculations Ricardo Mendes Ribeiro
  • [Pw_forum] Noncolinear calculations Abdeslam HOUARI
  • [Pw_forum] Noncolinear calculations Andrea Dal Corso
• [Pw_forum] hybrid functional "Valentina Dellacà C.R.F. S.C.p.A."
  • [Pw_forum] hybrid functional mohnish pandey
  • [Pw_forum] hybrid functional "Valentina Dellacà C.R.F. S.C.p.A."
  • [Pw_forum] hybrid functional Arles V. Gil Rebaza
  • [Pw_forum] hybrid functional "Valentina Dellacà C.R.F. S.C.p.A."
  • [Pw_forum] hybrid functional mohnish pandey
  • [Pw_forum] hybrid functional "Valentina Dellacà C.R.F. S.C.p.A."
  • [Pw_forum] hybrid functional Paolo Giannozzi
  • [Pw_forum] hybrid functional "Valentina Dellacà C.R.F. S.C.p.A."
  • [Pw_forum] hybrid functional "Valentina Dellacà C.R.F. S.C.p.A."
• [Pw_forum] d3.x on various q-points Hugo LEVARD
  • [Pw_forum] d3.x on various q-points Lorenzo Paulatto
  • [Pw_forum] d3.x on various q-points Hugo LEVARD
  • [Pw_forum] d3.x on various q-points Lorenzo Paulatto
• [Pw_forum] compile as a C++ library (prototype) Denis Davydov
  • [Pw_forum] compile as a C++ library (prototype) Filippo Spiga
• [Pw_forum] nanouse email discussion list Zbigniew Koziol
• [Pw_forum] Difficulties with scf convergence Никита Вакула
  • [Pw_forum] Difficulties with scf convergence Masoud Nahali
  • [Pw_forum] Difficulties with scf convergence Никита Вакула
• [Pw_forum] hexagonal structure shiva mokhavat
• [Pw_forum] Nanojunction calculation 昱璋陳
  • [Pw_forum] Nanojunction calculation Arles V. Gil Rebaza
• [Pw_forum] How to add semicore state electron to valance state? Yue-Wen Fang
  • [Pw_forum] How to add semicore state electron to valance state? Lorenzo Paulatto
  • [Pw_forum] How to add semicore state electron to valance state? Yue-Wen Fang
  • [Pw_forum] How to add semicore state electron to valance state? Axel Kohlmeyer
• [Pw_forum] big differences in relativistic phonon calculations between v5.0 and v5.3 Alaska Subedi
  • [Pw_forum] big differences in relativistic phonon calculations between v5.0 and v5.3 Alaska Subedi
  • [Pw_forum] big differences in relativistic phonon calculations between v5.0 and v5.3 Paolo Giannozzi
• [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Bramha Pandey
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Lorenzo Paulatto
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Bramha Pandey
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Bramha Pandey
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Paolo Giannozzi
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Bramha Pandey
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Paolo Giannozzi
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Bramha Pandey
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Bramha Pandey
  • [Pw_forum] fft_scalar_MOD_cfft3d at fft_scalar.f90:1218 error in vc-relax Filippo Spiga
• [Pw_forum] Whether alpha_mix influence the final results in phonon calculation? Yue-Wen Fang
• [Pw_forum] parallel execution Sakhrawi Taoufek
  • [Pw_forum] parallel execution Filippo Spiga
• [Pw_forum] compatibility between pseudopotential choice and input_dft token Cristian Degli Esposti Boschi
  • [Pw_forum] compatibility between pseudopotential choice and input_dft token Giuseppe Mattioli
  • [Pw_forum] compatibility between pseudopotential choice and input_dft token Cristian Degli Esposti Boschi
  • [Pw_forum] compatibility between pseudopotential choice and input_dft token Paolo Giannozzi
  • [Pw_forum] compatibility between pseudopotential choice and input_dft token Giuseppe Mattioli
• [Pw_forum] Sub: Test to activate Peram sreenivasa reddy
• [Pw_forum] spin polarised transport Mugdha Dave
  • [Pw_forum] Spin Polarised Transport Mugdha Dave
  • [Pw_forum] Spin Polarised Transport Alex Smogunov
• [Pw_forum] graphene conduction bands fabrizio gala
  • [Pw_forum] graphene conduction bands Nicola Marzari
• [Pw_forum] Problem in QHA calculation zafar rasheed
  • [Pw_forum] Problem in QHA calculation Bramha Pandey
• [Pw_forum] fix ions during relaxation / compile as a library? Denis Davydov
  • [Pw_forum] fix ions during relaxation / compile as a library? Lorenzo Paulatto
  • [Pw_forum] fix ions during relaxation / compile as a library? Paolo Giannozzi
  • [Pw_forum] fix ions during relaxation / compile as a library? Denis Davydov
  • [Pw_forum] fix ions during relaxation / compile as a library? Axel Kohlmeyer
• [Pw_forum] Mn PAW PP mohnish pandey
  • [Pw_forum] Mn PAW PP Pietro Bonfa'
  • [Pw_forum] Mn PAW PP mohnish pandey
• [Pw_forum] input parameters for lambda.x and electron-phonon coupling in MgB2 Miao Gao
• [Pw_forum] Fermi energy reference point shift from 0 to -2 Shamsu Abubakar
  • [Pw_forum] Fermi energy reference point shift from 0 to -2 Robert Hembree
  • [Pw_forum] Fermi energy reference point shift from 0 to -2 Shamsu Abubakar
  • [Pw_forum] Fermi energy reference point shift from 0 to -2 Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] problem with bands.x Krishna chaitanya
  • [Pw_forum] problem with bands.x Paolo Giannozzi
  • [Pw_forum] problem with bands.x Krishna chaitanya
  • [Pw_forum] problem with bands.x Paolo Giannozzi
  • [Pw_forum] problem with bands.x Krishna chaitanya
  • [Pw_forum] problem with bands.x Paolo Giannozzi
  • [Pw_forum] problem with bands.x Krishna chaitanya
  • [Pw_forum] problem with bands.x Krishna chaitanya
  • [Pw_forum] problem with bands.x Bramha Pandey
  • [Pw_forum] problem with bands.x Krishna chaitanya
  • [Pw_forum] problem with bands.x raha khalili
  • [Pw_forum] problem with bands.x mwonga patrick
  • [Pw_forum] problem with bands.x Paolo Giannozzi
• [Pw_forum] Problem in QHA zafar rasheed
  • [Pw_forum] Problem in QHA Paolo Giannozzi
  • [Pw_forum] Problem in QHA zafar rasheed
  • [Pw_forum] Problem in QHA Paolo Giannozzi
  • [Pw_forum] Problem in QHA zafar rasheed
• [Pw_forum] How to set starting_magnetization？ Yue-Wen Fang
  • [Pw_forum] How to set starting_magnetization？ Lorenzo Paulatto
  • [Pw_forum] How to set starting_magnetization？ Yue-Wen Fang
• [Pw_forum] problems with pressure calculation Eduardo Ariel Menendez Proupin
  • [Pw_forum] problems with pressure calculation Paolo Giannozzi
  • [Pw_forum] problems with pressure calculation Paolo Giannozzi
  • [Pw_forum] problems with pressure calculation Eduardo Ariel Menendez Proupin
• [Pw_forum] Wrong occupation number for f electrons 琨陶
  • [Pw_forum] Wrong occupation number for f electrons Paolo Giannozzi
• [Pw_forum] Question on the wsweight subroutine Aaditya Manjanath
  • [Pw_forum] Question on the wsweight subroutine Lorenzo Paulatto
  • [Pw_forum] Question on the wsweight subroutine Aaditya Manjanath
  • [Pw_forum] Question on the wsweight subroutine Lorenzo Paulatto
• [Pw_forum] choosing pseudopotential Никита Вакула
• [Pw_forum] PW is frozen TRINITE Virginie
  • [Pw_forum] PW is frozen Sergey Lisenkov
  • [Pw_forum] PW is frozen TRINITE Virginie
  • [Pw_forum] PW is frozen Sergey Lisenkov
  • [Pw_forum] PW is frozen Filippo Spiga
  • [Pw_forum] PW is frozen Paolo Giannozzi
  • [Pw_forum] PW is frozen TRINITE Virginie
  • [Pw_forum] PW is frozen TRINITE Virginie
  • [Pw_forum] PW is frozen Paolo Giannozzi
  • [Pw_forum] PW is frozen Filippo Spiga
  • [Pw_forum] PW is frozen Lorenzo Paulatto
• [Pw_forum] band paralellization paper on Quantum-ESPRESSO nicola varini
• [Pw_forum] Electronic entropy Nicolas FERNANDEZ
  • [Pw_forum] Electronic entropy Matteo Cococcioni
  • [Pw_forum] Electronic entropy Lorenzo Paulatto
  • [Pw_forum] Electronic entropy Nicolas FERNANDEZ
• [Pw_forum] using pp.x to calculate psi^2 Hongze Xia

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