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• Re: [Pw_forum] is there any correction needed ?? any changes can be done for the fast calculation of relax ??? Giovanni Cantele
• [Pw_forum] Phonon Calculations Error Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] computation time of addusdens subroutine Junfeng Qiao
  • Re: [Pw_forum] computation time of addusdens subroutine stefano de gironcoli
  • Re: [Pw_forum] computation time of addusdens subroutine Junfeng Qiao
  • Re: [Pw_forum] computation time of addusdens subroutine Paolo Giannozzi
• [Pw_forum] bands Uttam Paliwal
  • Re: [Pw_forum] bands Giovanni Cantele
  • Re: [Pw_forum] bands Uttam Paliwal
  • Re: [Pw_forum] bands Giovanni Cantele
  • Re: [Pw_forum] bands Uttam Paliwal
  • Re: [Pw_forum] bands Giovanni Cantele
  • Re: [Pw_forum] bands Uttam Paliwal
• [Pw_forum] charged vancies and image coulomb interaction azurebayer
• [Pw_forum] QE Shishir Timilsena
  • Re: [Pw_forum] QE Giovanni Cantele
  • Re: [Pw_forum] QE Shishir Timilsena
  • Re: [Pw_forum] QE Giovanni Cantele
  • Re: [Pw_forum] QE Shishir Timilsena
  • Re: [Pw_forum] QE Giovanni Cantele
• [Pw_forum] Use of mixing_beta Dr. Robert Molt Jr.
• [Pw_forum] Proper Symmetry Representation Dr. Robert Molt Jr.
• Re: [Pw_forum] Confusion about silicon phonon dispersion along K-X path Suza W
  • Re: [Pw_forum] Confusion about silicon phonon dispersion along K-X path Nicola Marzari
• [Pw_forum] Input file description for gipaw 李培
• [Pw_forum] Confusion about silicon phonon dispersion along K-X path balabi
  • Re: [Pw_forum] Confusion about silicon phonon dispersion along K-X path Nicola Marzari
  • Re: [Pw_forum] Confusion about silicon phonon dispersion along K-X path balabi
  • Re: [Pw_forum] Confusion about silicon phonon dispersion along K-X path stefano de gironcoli
  • Re: [Pw_forum] Confusion about silicon phonon dispersion along K-X path stefano de gironcoli
  • Re: [Pw_forum] Confusion about silicon phonon dispersion along K-X path balabi
• [Pw_forum] weekly snapshots Mahmoud Payami Shabestari
  • Re: [Pw_forum] weekly snapshots Paolo Giannozzi
  • Re: [Pw_forum] weekly snapshots Mahmoud Payami Shabestari
  • Re: [Pw_forum] weekly snapshots Paolo Giannozzi
  • Re: [Pw_forum] weekly snapshots Mahmoud Payami Shabestari
• [Pw_forum] Dead Link on Webpage Concerning Parallel Performance Robert Molt
  • Re: [Pw_forum] Dead Link on Webpage Concerning Parallel Performance Paolo Giannozzi
• [Pw_forum] Fermi level related query Anindya Bose
• [Pw_forum] Allowed symmetries in GIPAW J. Nelson
  • Re: [Pw_forum] Allowed symmetries in GIPAW Davide Ceresoli
  • Re: [Pw_forum] Allowed symmetries in GIPAW J. Nelson
  • Re: [Pw_forum] Allowed symmetries in GIPAW Davide Ceresoli
• [Pw_forum] q-grid ashkan shekaari
  • Re: [Pw_forum] q-grid Lorenzo Paulatto
• [Pw_forum] Relaxation of florine adsorption in graphene sheet nipesh dulal
  • Re: [Pw_forum] Relaxation of florine adsorption in graphene sheet Yasser Fowad AlWahedi
  • Re: [Pw_forum] Relaxation of florine adsorption in graphene sheet nipesh dulal
• [Pw_forum] scf calculation for Cr_2O_3 y.satono.851
• [Pw_forum] Heat capacity at constant pressure Abolore Musari
  • [Pw_forum] Heat capacity at constant pressure Abolore Musari
• [Pw_forum] Quantum Espresso Pseudopotential Plot Aditya Vishwakarma
• [Pw_forum] Supercell calculation takes a very long time Afshin Arjangmehr
• [Pw_forum] Error while running the code on HPC cluster dkartik
  • Re: [Pw_forum] Error while running the code on HPC cluster Paolo Giannozzi
• [Pw_forum] complex bandstructure in silicon nanowire Anindya Bose
• [Pw_forum] New pre-production GPU-accelerated Quantum ESPRESSO available (v0.2) Filippo Spiga
• [Pw_forum] Comparison of total energies Chukwuemeka Okoye
  • [Pw_forum] Comparison of total energies Chukwuemeka Okoye
  • Re: [Pw_forum] Comparison of total energies Nicola Marzari
  • Re: [Pw_forum] Comparison of total energies Chukwuemeka Okoye
  • Re: [Pw_forum] Comparison of total energies Nicola Marzari
  • Re: [Pw_forum] Comparison of total energies Chukwuemeka Okoye
• [Pw_forum] GW for graphene Andrea Pedrielli
• [Pw_forum] Water confinement Ubaid Mohd
• [Pw_forum] nscf related problem Anindya Bose
  • Re: [Pw_forum] nscf related problem Lorenzo Paulatto
• [Pw_forum] Simple question on vc-relax Pablo García Risueño
  • Re: [Pw_forum] Simple question on vc-relax Jia Chen
• [Pw_forum] QE 6.1 Error Manu Hegde
  • Re: [Pw_forum] QE 6.1 Error Paolo Giannozzi
• [Pw_forum] Neb restart Alexandra Davila
• [Pw_forum] Regarding error during adsorption of bromine in graphene nipesh dulal
  • Re: [Pw_forum] Regarding error during adsorption of bromine in graphene Lorenzo Paulatto
  • Re: [Pw_forum] Regarding error during adsorption of bromine in graphene nipesh dulal
• [Pw_forum] Need help in spin polarized calculations sayan chaudhuri
  • Re: [Pw_forum] Need help in spin polarized calculations Mostafa Youssef
  • Re: [Pw_forum] Need help in spin polarized calculations sayan chaudhuri
  • Re: [Pw_forum] Need help in spin polarized calculations sayan chaudhuri
  • Re: [Pw_forum] Need help in spin polarized calculations Mostafa Youssef
  • Re: [Pw_forum] Need help in spin polarized calculations sayan chaudhuri
• [Pw_forum] PARTICULAR SITE OCCUPIED FRACTIONALLY BY DIFFERENT ELEMENTS Sudip Kumar Mondal
• [Pw_forum] Dielectric constant at RPA level with PHONON Vahid Askarpour
  • Re: [Pw_forum] Dielectric constant at RPA level with PHONON stefano de gironcoli
  • Re: [Pw_forum] Dielectric constant at RPA level with PHONON Vahid Askarpour
• [Pw_forum] Error conflicting values for icorr dkartik
  • Re: [Pw_forum] Error conflicting values for icorr Prasenjit Ghosh
• [Pw_forum] Large difference between the CPU and wall time in the c_bands and sum_bands routines Harsha Vardhan
  • Re: [Pw_forum] Large difference between the CPU and wall time in the c_bands and sum_bands routines Lorenzo Paulatto
  • Re: [Pw_forum] Large difference between the CPU and wall time in the c_bands and sum_bands routines Paolo Giannozzi
  • Re: [Pw_forum] Large difference between the CPU and wall time in the c_bands and sum_bands routines Harsha Vardhan
• [Pw_forum] Phonon dispersion curve Masoud Rahbar
  • Re: [Pw_forum] Phonon dispersion curve Lorenzo Paulatto
• [Pw_forum] local pseudopotentials jiayu dai
  • Re: [Pw_forum] local pseudopotentials Paolo Giannozzi
• [Pw_forum] vdW interactions and HSE type calculations Yusuf Zuntu
  • [Pw_forum] vdW interactions and HSE type calculations Yusuf Zuntu
• [Pw_forum] End of SCF - convergence NOT achieved Ben Palmer
  • Re: [Pw_forum] End of SCF - convergence NOT achieved Tom Daff
  • Re: [Pw_forum] End of SCF - convergence NOT achieved Nicola Marzari
  • Re: [Pw_forum] End of SCF - convergence NOT achieved Ben Palmer
  • Re: [Pw_forum] End of SCF - convergence NOT achieved Nicola Marzari
  • Re: [Pw_forum] End of SCF - convergence NOT achieved Ben Palmer
• Re: [Pw_forum] 1 of 17 vc-relax lattice constance optimzition Hong Tang
  • Re: [Pw_forum] 1 of 17 vc-relax lattice constance optimzition Paolo Giannozzi
• Re: [Pw_forum] Should I worry about large discrepency in testing test-suite balabi
• [Pw_forum] vc-relax lattice constance optimzition Hong Tang
  • Re: [Pw_forum] vc-relax lattice constance optimzition Paolo Giannozzi
• [Pw_forum] The phonon code with hybrid functionals is not yet available Kittithat (Mick) Krongchon
  • Re: [Pw_forum] The phonon code with hybrid functionals is not yet available Paolo Giannozzi
• Re: [Pw_forum] Pw_forum Digest, Vol 119, Issue 26 Magdalena Birowska
  • Re: [Pw_forum] Pw_forum Digest, Vol 119, Issue 26 Paolo Giannozzi
• [Pw_forum] wrong mode symmetry in phonon calculations Magdalena Birowska
• [Pw_forum] error in Wyckoff positions Magdalena Birowska
  • Re: [Pw_forum] error in Wyckoff positions Giovanni Cantele
  • Re: [Pw_forum] error in Wyckoff positions Magdalena Birowska
  • Re: [Pw_forum] error in Wyckoff positions Giovanni Cantele
• [Pw_forum] Is cp.x suitable for metal-semiconductor interface? Jingyang Wang
  • Re: [Pw_forum] Is cp.x suitable for metal-semiconductor interface? Paolo Giannozzi
  • Re: [Pw_forum] Is cp.x suitable for metal-semiconductor interface? Biswajit Santra
• [Pw_forum] Error during pw2wannier90 run elchatz
  • Re: [Pw_forum] Error during pw2wannier90 run Paolo Giannozzi
• [Pw_forum] Should I worry about large discrepency in testing test-suite balabi
  • Re: [Pw_forum] Should I worry about large discrepency in testing test-suite Paolo Giannozzi
• [Pw_forum] vc-relax cell parameters are not changing Brendan Smith
  • Re: [Pw_forum] vc-relax cell parameters are not changing Stefano de Gironcoli
  • Re: [Pw_forum] vc-relax cell parameters are not changing Paolo Giannozzi
  • Re: [Pw_forum] vc-relax cell parameters are not changing Isaiah Moses
  • Re: [Pw_forum] vc-relax cell parameters are not changing stefano de gironcoli
  • Re: [Pw_forum] vc-relax cell parameters are not changing Paolo Giannozzi
  • Re: [Pw_forum] vc-relax cell parameters are not changing Isaiah Moses
  • Re: [Pw_forum] vc-relax cell parameters are not changing Karim Elgammal
  • Re: [Pw_forum] vc-relax cell parameters are not changing Brendan Smith
• [Pw_forum] Time dependent execution time using 32 core on single node Edoardo Mosconi
• [Pw_forum] why la2f is not listed in input_pw.html? balabi
  • Re: [Pw_forum] why la2f is not listed in input_pw.html? Paolo Giannozzi
  • Re: [Pw_forum] why la2f is not listed in input_pw.html? balabi
  • Re: [Pw_forum] why la2f is not listed in input_pw.html? Paolo Giannozzi
  • Re: [Pw_forum] why la2f is not listed in input_pw.html? balabi
• [Pw_forum] LSDA error Manu Hegde
  • Re: [Pw_forum] LSDA error stefano de gironcoli
  • Re: [Pw_forum] LSDA error Manu Hegde
  • Re: [Pw_forum] LSDA error stefano de gironcoli
• [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Isaiah Moses
  • [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Isaiah Moses
  • [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Isaiah Moses
  • Re: [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Paolo Giannozzi
  • Re: [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Isaiah Moses
  • Re: [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Paolo Giannozzi
  • Re: [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Isaiah Moses
  • Re: [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Isaiah Moses
  • Re: [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Isaiah Moses
  • Re: [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Paolo Giannozzi
  • Re: [Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution Isaiah Moses
• [Pw_forum] nbnd option B S Bhushan
  • Re: [Pw_forum] nbnd option Giuseppe Mattioli
  • Re: [Pw_forum] nbnd option B S Bhushan
• [Pw_forum] Potential plot for SnSe Vahid Askarpour
  • Re: [Pw_forum] Potential plot for SnSe Vahid Askarpour
  • Re: [Pw_forum] Potential plot for SnSe Vahid Askarpour
• [Pw_forum] dielectric constant dependence on frequency Andrey Chibisov
  • Re: [Pw_forum] dielectric constant dependence on frequency Andrey Chibisov
• Re: [Pw_forum] Pseudopotential generation of Silicon in [Ne] 3s2 3p2 3d0 configuration harshit bharti
  • Re: [Pw_forum] Pseudopotential generation of Silicon in [Ne] 3s2 3p2 3d0 configuration harshit bharti
  • Re: [Pw_forum] Pseudopotential generation of Silicon in [Ne] 3s2 3p2 3d0 configuration Ari P Seitsonen
• [Pw_forum] Quantum Espresso Ubaid Mohd
  • Re: [Pw_forum] Quantum Espresso Giovanni Cantele
  • Re: [Pw_forum] Quantum Espresso Ubaid Mohd
  • Re: [Pw_forum] Quantum Espresso Giovanni Cantele
  • Re: [Pw_forum] Quantum Espresso Ubaid Mohd
  • Re: [Pw_forum] Quantum Espresso Ubaid Mohd
  • Re: [Pw_forum] Quantum Espresso Andrey Chibisov
  • Re: [Pw_forum] Quantum Espresso Ubaid Mohd
  • Re: [Pw_forum] Quantum Espresso Nicola Marzari
  • Re: [Pw_forum] Quantum Espresso Ubaid Mohd
  • Re: [Pw_forum] Quantum Espresso Biswajit Santra
  • Re: [Pw_forum] Quantum Espresso Ubaid Mohd
  • [Pw_forum] Using a PBE pp but set Xc type to LDA 耿慧远
  • Re: [Pw_forum] Using a PBE pp but set Xc type to LDA Lorenzo Paulatto
  • [Pw_forum] Quantum Espresso Shishir Timilsena
  • Re: [Pw_forum] Quantum Espresso Giovanni Cantele
  • Re: [Pw_forum] Quantum Espresso Shishir Timilsena
  • Re: [Pw_forum] Quantum Espresso Pascal Boulet
  • Re: [Pw_forum] Quantum Espresso Pascal Boulet
• [Pw_forum] how calculate Mulliken charges and NBO charge with Qs Nasim Ha
• [Pw_forum] pw2wannier90 crash Satrio Gani
• [Pw_forum] Strange Lowdin Charges Wang Beizhou
  • Re: [Pw_forum] Strange Lowdin Charges Arles V. Gil Rebaza
  • Re: [Pw_forum] Strange Lowdin Charges Wang Beizhou
• [Pw_forum] ph.x Error in routine phq_readin (1): reading inputph namelist Kemal Ramic
  • Re: [Pw_forum] ph.x Error in routine phq_readin (1): reading inputph namelist Paolo Giannozzi
• [Pw_forum] XSpectra error Shize Yang
  • Re: [Pw_forum] XSpectra error Lorenzo Paulatto
  • Re: [Pw_forum] XSpectra error Lorenzo Paulatto
• [Pw_forum] How to calculate band structure of a doped system sudipta
  • Re: [Pw_forum] How to calculate band structure of a doped system Manu Hegde
  • Re: [Pw_forum] How to calculate band structure of a doped system sudipta
  • Re: [Pw_forum] How to calculate band structure of a doped system Manu Hegde
  • Re: [Pw_forum] How to calculate band structure of a doped system Sunetra Das
  • Re: [Pw_forum] How to calculate band structure of a doped system Manu Hegde

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