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• • [Pw_forum] RE : error with spin polarized calculation with SOC Thaneshwor Kaloni
  • [Pw_forum] RE : error with spin polarized calculation with SOC Andrea Dal Corso
  • [Pw_forum] RE : error with spin polarized calculation with SOC Thaneshwor Kaloni
  • [Pw_forum] RE : error with spin polarized calculation with SOC Andrea Dal Corso
  • [Pw_forum] RE : error with spin polarized calculation with SOC Gabriele Sclauzero
• [Pw_forum] Pw_forum Digest, Vol 61, Issue 11 Thaneshwor Kaloni
• [Pw_forum] Pseudo potential MoS2 Sohail Ahmad
  • [Pw_forum] Pseudo potential MoS2 Paolo Giannozzi
• [Pw_forum] Pseudopotential for MoS2 Sohail Ahmad
  • [Pw_forum] Pseudopotential for MoS2 Axel Kohlmeyer
• [Pw_forum] Ploting graphene energy band Yusuf Zuntu
• [Pw_forum] phonon Swetarekha Ram
  • [Pw_forum] phonon Stefano Baroni
• [Pw_forum] augmentation charge importance in calculation of local dos Yavar Taghipour Azar
• [Pw_forum] Problem in Bands of Graphene Nanoribbon ????????
  • [Pw_forum] Problem in Bands of Graphene Nanoribbon Nicola Marzari
  • [Pw_forum] Problem in Bands of Graphene Nanoribbon Giovanni Cantele
  • [Pw_forum] Problem in Bands of Graphene Nanoribbon Martin Gmitra
• [Pw_forum] Charge density as a percentage Gulcin Tetiker
  • [Pw_forum] Charge density as a percentage Stefano de Gironcoli
• [Pw_forum] Total energy too low David Furman
  • [Pw_forum] Total energy too low Stefano de Gironcoli
• [Pw_forum] reg: phonon Swetarekha Ram
  • [Pw_forum] reg: phonon Swetarekha Ram
  • [Pw_forum] Reg: phonon Swetarekha Ram
• [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation meghdad saeedian
  • [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation meghdad saeedian
  • [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation Stefano de Gironcoli
  • [Pw_forum] Fw: Re: Problem in using GGA+U for the PbSe Calculation meghdad saeedian
• [Pw_forum] Problem in using GGA+U for the PbSe Calculation meghdad saeedian
  • [Pw_forum] Problem in using GGA+U for the PbSe Calculation Burak Himmetoglu
  • [Pw_forum] Problem in using GGA+U for the PbSe Calculation meghdad saeedian
  • [Pw_forum] Problem in using GGA+U for the PbSe Calculation zafar rasheed
  • [Pw_forum] Problem in using GGA+U for the PbSe Calculation Emine Kucukbenli
• [Pw_forum] k point generation MMS
  • [Pw_forum] k point generation [email protected]
  • [Pw_forum] k point generation MMS
• [Pw_forum] problem about magnetic properties zafar rasheed
• [Pw_forum] Problems about magnetic properties zafar rasheed
  • [Pw_forum] Problems about magnetic properties shayan hemmatiyan
  • [Pw_forum] Problems about magnetic properties Duy Le
• [Pw_forum] postdoc available Davide Tiana
• [Pw_forum] internal FFTW vs FFTW3 Roozbeh Sanaei
  • [Pw_forum] internal FFTW vs FFTW3 Lorenzo Paulatto
• [Pw_forum] Can xpectra.x calculate XAS for metal? 程迎春
  • [Pw_forum] Can xpectra.x calculate XAS for metal? Guido Fratesi
  • [Pw_forum] Can xpectra.x calculate XAS for metal? 程迎春
• [Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples? Roozbeh Sanaei
  • [Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples? Lorenzo Paulatto
  • [Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples? Paolo Giannozzi
  • [Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples? Axel Kohlmeyer
• [Pw_forum] where is qe-gipaw? 程迎春
  • [Pw_forum] where is qe-gipaw? Davide Ceresoli
  • [Pw_forum] where is qe-gipaw? 程迎春
  • [Pw_forum] where is qe-gipaw? Huiqun Zhou
  • [Pw_forum] where is qe-gipaw? 程迎春
• [Pw_forum] QE 5.0 compiled with Gfortran and iFort fails the check-cp.x.j and check-pw.x.j. Roozbeh Sanaei
  • [Pw_forum] QE 5.0 compiled with Gfortran and iFort fails the check-cp.x.j and check-pw.x.j. Paolo Giannozzi
  • [Pw_forum] QE 5.0 compiled with Gfortran and iFort fails the check-cp.x.j and check-pw.x.j. Roozbeh Sanaei
• [Pw_forum] Charge density of each state Gulcin Tetiker
  • [Pw_forum] Charge density of each state Mohsen Modaresi
  • [Pw_forum] Charge density of each state Gulcin Kucukdalyan
  • [Pw_forum] Charge density of each state Layla Martin-Samos
  • [Pw_forum] Kohn-Sham orbitals cube file [email protected]
  • [Pw_forum] Kohn-Sham orbitals cube file Guido Fratesi
  • [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 [email protected]
  • [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 Lorenzo Paulatto
  • [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 [email protected]
  • [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 Guido Fratesi
  • [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 [email protected]
  • [Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6 Paolo Giannozzi
  • [Pw_forum] Charge density of each state Duy Le
  • [Pw_forum] Charge density of each state Gulcin Tetiker
  • [Pw_forum] Charge density of each state Gulcin Tetiker
  • [Pw_forum] Charge density of each state Duy Le
  • [Pw_forum] Charge Density of Each State Gulcin Kucukdalyan
  • [Pw_forum] Charge Density of Each State Lorenzo Paulatto
  • [Pw_forum] Charge Density of Each State Gulcin Tetiker
  • [Pw_forum] Charge Density of Each State Lorenzo Paulatto
  • [Pw_forum] Charge Density of Each State Gulcin Kucukdalyan
  • [Pw_forum] Charge Density of Each State Duy Le
  • [Pw_forum] Charge Density of Each State Gulcin Tetiker
  • [Pw_forum] Charge Density of Each State [email protected]
  • [Pw_forum] Charge Density of Each State Gulcin Tetiker
  • [Pw_forum] Charge Density of Each State Layla Martin-Samos
  • [Pw_forum] Charge Density of Each State Gulcin Tetiker
  • [Pw_forum] Charge Density of Each State Lorenzo Paulatto
  • [Pw_forum] Charge Density of Each State Gulcin Tetiker
  • [Pw_forum] Charge Density of Each State Gulcin Tetiker
  • [Pw_forum] Charge Density of Each State Layla Martin-Samos
  • [Pw_forum] Charge Density of Each State Guido Fratesi
  • [Pw_forum] Charge Density of Each State Thaneshwor Kaloni
• [Pw_forum] problem with soc+electric field calculations Thaneshwor Kaloni
  • [Pw_forum] problem with soc+electric field calculations Gabriele Sclauzero
  • [Pw_forum] problem with soc+electric field calculations Thaneshwor Kaloni
  • [Pw_forum] problem with soc+electric field calculations [email protected]
  • [Pw_forum] problem with soc+electric field calculations Thaneshwor Kaloni
• [Pw_forum] How can I change maximal number of k-points in the code Magdalena Birowska
  • [Pw_forum] How can I change maximal number of k-points in the code Paolo Giannozzi
• [Pw_forum] running QHA examples Abolore Musari
  • [Pw_forum] running QHA examples Abolore Musari
  • [Pw_forum] running QHA examples Lorenzo Paulatto
  • [Pw_forum] running QHA examples Abolore Musari
  • [Pw_forum] running QHA examples Lorenzo Paulatto
  • [Pw_forum] running QHA examples Abolore Musari
• [Pw_forum] dielectric constant mohaddeseh abbasnejad
• [Pw_forum] SCF Correction Too Large ... Vic Bermudez
  • [Pw_forum] SCF Correction Too Large ... Stefano de Gironcoli
  • [Pw_forum] SCF Correction Too Large ... Sonu Kumar
• [Pw_forum] Thank you Payam Norouzzadeh
• [Pw_forum] k-point-path Payam Norouzzadeh
  • [Pw_forum] k-point-path DENIS MAGERO
  • [Pw_forum] k-point-path Nandan Tandon
• [Pw_forum] electronic excitation energy bhabya sahoo
  • [Pw_forum] electronic excitation energy Stefano Baroni
  • [Pw_forum] electronic excitation energy Arles V. Gil Rebaza
  • [Pw_forum] electronic excitation energy bhabya sahoo
  • [Pw_forum] electronic excitation energy Stefano Baroni
• [Pw_forum] unexpected force_symmorphic behavior with explicit k grid Giovanni Pizzi
  • [Pw_forum] unexpected force_symmorphic behavior with explicit k grid Paolo Giannozzi
  • [Pw_forum] unexpected force_symmorphic behavior with explicit k grid Giovanni Pizzi
• [Pw_forum] projwfc.x error with spin orbit Virk Naunidh
  • [Pw_forum] projwfc.x error with spin orbit Lorenzo Paulatto
  • [Pw_forum] projwfc.x error with spin orbit Virk Naunidh
  • [Pw_forum] projwfc.x error with spin orbit Paolo Giannozzi
  • [Pw_forum] projwfc.x error with spin orbit Virk Naunidh
• [Pw_forum] Charge Density calculation Gulcin Tetiker
  • [Pw_forum] Charge Density calculation Lorenzo Paulatto
• [Pw_forum] about environment dielectric constant 李晓东
• [Pw_forum] Band gap of AlAs (zinc blende)‏ ramzi alaya
  • [Pw_forum] Band gap of AlAs (zinc blende) ‏ Giuseppe Mattioli
• [Pw_forum] Problem with convergence parameters forc_conv_thr and etot_conv_thr Gabriel Pagola
  • [Pw_forum] Problem with convergence parameters forc_conv_thr and etot_conv_thr Lorenzo Paulatto
  • [Pw_forum] Problem with convergence parameters forc_conv_thr and etot_conv_thr Giuseppe Mattioli
• [Pw_forum] Error in compiling Quantum-Espresso 5.0-Gpu bf azi
  • [Pw_forum] Error in compiling Quantum-Espresso 5.0-Gpu Axel Kohlmeyer
  • [Pw_forum] Error in compiling Quantum-Espresso 5.0-Gpu Peter Dunne
• [Pw_forum] Array out of bound error in set_irr.f90 under espresso-5.0/PHonon/PH Yang Wang
  • [Pw_forum] Array out of bound error in set_irr.f90 under espresso-5.0/PHonon/PH Andrea Dal Corso
• [Pw_forum] phonon mode symmetry format karan deep
• [Pw_forum] Quantum ESPRESSO 5.0 with GPU-accelerated PWscf available for download Filippo Spiga
• [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Matteo Calandra
  • [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Alaska Subedi
• [Pw_forum] d-orbitals in fully relativistic pseudopotential for Carbon -- band gap in graphene Martin Gmitra
• [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Alaska Subedi
  • [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Alaska Subedi
  • [Pw_forum] electron_phonon="interpolated" with trans=.false. fails Andrea Dal Corso
• [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Prasenjit Ghosh
  • [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Lorenzo Paulatto
  • [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Prasenjit Ghosh
  • [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Lorenzo Paulatto
  • [Pw_forum] Regarding calculation of nmr spectra using gipaw.x Prasenjit Ghosh
• [Pw_forum] Phonon group velocity in different directions Payam Norouzzadeh
  • [Pw_forum] Phonon group velocity in different directions Stefano Baroni
• [Pw_forum] CRYSTAL OPTIMISATION Davide Tiana
• [Pw_forum] Plotting Band Structure by using Xmgrace Gulcin Tetiker
  • [Pw_forum] Plotting Band Structure by using Xmgrace bramha pandey
  • [Pw_forum] Plotting Band Structure by using Xmgrace shu xu
• [Pw_forum] wanT download Davide Tiana
  • [Pw_forum] wanT download Andrea Ferretti
• [Pw_forum] vdw-DF study for calcium decorated graphene Janet Wong
  • [Pw_forum] vdw-DF study for calcium decorated graphene Janet Wong
• [Pw_forum] Pw_forum Digest, Vol 60, Issue 19. Re:Cystal optimisation Davide Tiana
• [Pw_forum] CRYSTAl optimization MARTA FERRARO
  • [Pw_forum] CRYSTAl optimization Paolo Giannozzi
• [Pw_forum] Am I right? Peng Tao
  • [Pw_forum] Am I right? Paolo Giannozzi
• [Pw_forum] Possible small bug in matdyn.f90 Hongjun Xiang
  • [Pw_forum] Possible small bug in matdyn.f90 Paolo Giannozzi
• [Pw_forum] Are the wlog, Tc got from lambda.x reasonable? Chen Si
• [Pw_forum] TiO2.nscf funmi ayedun
  • [Pw_forum] TiO2.nscf Paolo Giannozzi
• [Pw_forum] Orbital order in the non-collinear relativistic case... again! Rodrigo Neumann
  • [Pw_forum] Orbital order in the non-collinear relativistic case... again! Andrea Dal Corso
  • [Pw_forum] Orbital order in the non-collinear relativistic case... again! Rodrigo Neumann
• [Pw_forum] Equation of state with PW.x David Furman
  • [Pw_forum] Equation of state with PW.x Lorenzo Paulatto
  • [Pw_forum] Equation of state with PW.x GAO Zhe
  • [Pw_forum] Equation of state with PW.x Paolo Giannozzi
• [Pw_forum] Calculation of Phonon disperison stopped automatically without any warning Sheleon Zhang
  • [Pw_forum] Calculation of Phonon disperison stopped automatically without any warning Paolo Giannozzi
• [Pw_forum] R: Re: lattice optimization with hybrid [email protected]
• [Pw_forum] problem witch wurtzite structure ramzi alaya
  • [Pw_forum] problem witch wurtzite structure Stefano de Gironcoli
• [Pw_forum] flactuating total and absolute magnatization m rostami
  • [Pw_forum] flactuating total and absolute magnatization Lorenzo Paulatto
• [Pw_forum] increasing temperature MD calculation Farzad Molani
• [Pw_forum] K-points implemented in TDDFPT? Huang, Jingsong
  • [Pw_forum] K-points implemented in TDDFPT? Stefano Baroni
  • [Pw_forum] K-points implemented in TDDFPT? Giuseppe Mattioli
• [Pw_forum] deformation potential for polar semiconductor Nandan Tandon
  • [Pw_forum] deformation potential for polar semiconductor Nandan Tandon
  • [Pw_forum] deformation potential for polar semiconductor Nandan Tandon
  • [Pw_forum] deformation potential for polar semiconductor Nandan Tandon
• [Pw_forum] lattice optimization with hybrid [email protected]
  • [Pw_forum] lattice optimization with hybrid Paolo Giannozzi
  • [Pw_forum] lattice optimization with hybrid Giuseppe Mattioli
• [Pw_forum] error with open64 compilers Arturo
  • [Pw_forum] error with open64 compilers Lorenzo Paulatto
  • [Pw_forum] error with open64 compilers Arturo

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