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• • [Pw_forum] relaxed structure output Paolo Giannozzi
• [Pw_forum] TDDFT with turbo_lanczos.x henry odhiambo
  • [Pw_forum] TDDFT with turbo_lanczos.x henry odhiambo
  • [Pw_forum] TDDFT with turbo_lanczos.x Simon Binnie
• [Pw_forum] Band Structure and nscf calculation Sohail Ahmad
  • [Pw_forum] Band Structure and nscf calculation Thaneshwor Kaloni
• [Pw_forum] make[2]: warning: Clock skew detected. Your build may be incomplete. yqsu
  • [Pw_forum] make[2]: warning: Clock skew detected. Your build may be incomplete. Axel Kohlmeyer
• [Pw_forum] Input error? Pedro Augusto F. P. Moreira
  • [Pw_forum] Input error? Duy Le
  • [Pw_forum] Input error? Pedro Augusto F. P. Moreira
  • [Pw_forum] Input error? Paolo Giannozzi
  • [Pw_forum] Input error? GAO Zhe
• [Pw_forum] self consistent calculation Sohail Ahmad
  • [Pw_forum] self consistent calculation Filipe Camargo Dalmatti Alves Lima
  • [Pw_forum] self consistent calculation Thaneshwor Kaloni
• [Pw_forum] Clarification on how to compute elastic constants bamidele ibrahim
  • [Pw_forum] Clarification on how to compute elastic constants Stefano de Gironcoli
• [Pw_forum] nscf calculation Sohail Ahmad
• [Pw_forum] Band structure of Diamagnetic system Abolore Musari
  • [Pw_forum] Band structure of Diamagnetic system Paolo Giannozzi
  • [Pw_forum] Band structure of Diamagnetic system Abolore Musari
  • [Pw_forum] Band structure of Diamagnetic system Paolo Giannozzi
  • [Pw_forum] Band structure of Diamagnetic system Abolore Musari
• [Pw_forum] Re : Regarding QHA zafar rasheed
• [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". bamidele ibrahim
  • [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". GAO Zhe
  • [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". bamidele ibrahim
  • [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". GAO Zhe
  • [Pw_forum] scf calculation crashed for "diagonalization (ZHEGV*) failed". Paolo Giannozzi
• [Pw_forum] A question about the Ph.x code. Filipe Camargo Dalmatti Alves Lima
  • [Pw_forum] A question about the Ph.x code. Claudio Perottoni
  • [Pw_forum] A question about the Ph.x code. Filipe Camargo Dalmatti Alves Lima
  • [Pw_forum] A question about the Ph.x code. Paolo Giannozzi
• [Pw_forum] Regarding QHA Kondaiah Samudrala
• [Pw_forum] Pw_forum Digest, Vol 61, Issue 49 Kondaiah Samudrala
• [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation Koushik Pal
  • [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation Andrea Dal Corso
  • [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation Koushik Pal
  • [Pw_forum] anomaly in phonon frequencies as obtained using DFPT (ph.x) in a spin-orbit calculation Paolo Giannozzi
• [Pw_forum] Why does Ewald sum calculation need so much RAM Thomas Gruber
  • [Pw_forum] Why does Ewald sum calculation need so much RAM Paolo Giannozzi
  • [Pw_forum] Why does Ewald sum calculation need so much RAM Thomas Gruber
  • [Pw_forum] Why does Ewald sum calculation need so much RAM Paolo Giannozzi
  • [Pw_forum] Why does Ewald sum calculation need so much RAM Thomas Gruber
  • [Pw_forum] Why does Ewald sum calculation need so much RAM Paolo Giannozzi
• [Pw_forum] Regarding QHA calculations Kondaiah Samudrala
  • [Pw_forum] Regarding QHA calculations Paolo Giannozzi
  • [Pw_forum] Regarding QHA calculations Kondaiah Samudrala
• [Pw_forum] Problem on compiling espresso-4.3.2 Mahdi Faghih nasiri
  • [Pw_forum] Problem on compiling espresso-4.3.2 Giovanni Cantele
  • [Pw_forum] Problem on compiling espresso-4.3.2 Giovanni Cantele
• [Pw_forum] Change Fermi energy in e-ph calculation Nicki Frank Hinsche
  • [Pw_forum] Change Fermi energy in e-ph calculation Paolo Giannozzi
• [Pw_forum] Problem with visualizing wave function with appropriate sign (using "lsign") in a spin-orbit calculation Koushik Pal
  • [Pw_forum] Problem with visualizing wave function with appropriate sign (using "lsign") in a spin-orbit calculation Andrea Dal Corso
• [Pw_forum] ntg with Hybrid Calculations Jack Deslippe
  • [Pw_forum] ntg with Hybrid Calculations Paolo Giannozzi
• [Pw_forum] ecutwfc Sohail Ahmad
  • [Pw_forum] ecutwfc Lorenzo Paulatto
  • [Pw_forum] ecutwfc raha khalili
  • [Pw_forum] ecutwfc Thomas Brumme
  • [Pw_forum] ecutwfc Giuseppe Mattioli
  • [Pw_forum] ecutwfc Hadi Arefi
  • [Pw_forum] ecutwfc Bertrand SITAMTZE
  • [Pw_forum] ecutwfc raha khalili
  • [Pw_forum] ecutwfc Axel Kohlmeyer
  • [Pw_forum] ecutwfc raha khalili
• [Pw_forum] q not allowed when running q2r.x "Alejandro Rébola"
  • [Pw_forum] q not allowed when running q2r.x Peng Tao
  • [Pw_forum] q not allowed when running q2r.x Peng Tao
  • [Pw_forum] q not allowed when running q2r.x Peng Tao
  • [Pw_forum] q not allowed when running q2r.x Paolo Giannozzi
• [Pw_forum] A question about efield ????????
• [Pw_forum] relax or vc-relax for supercell? yavar pour azar
• [Pw_forum] i can not see my email yavar pour azar
  • [Pw_forum] i can not see my email Axel Kohlmeyer
  • [Pw_forum] i can not see my email yavar pour azar
• [Pw_forum] Reciprocity of Supercells & BZ Sampling yavar pour azar
  • [Pw_forum] Reciprocity of Supercells & BZ Sampling Giovanni Cantele
  • [Pw_forum] Reciprocity of Supercells & BZ Sampling yavar pour azar
• [Pw_forum] reg: Tc calculation Swetarekha Ram
• [Pw_forum] question about compiling espresso-4.3.2-GPU Chengyang Li
  • [Pw_forum] question about compiling espresso-4.3.2-GPU Filippo Spiga
  • [Pw_forum] question about compiling espresso-4.3.2-GPU Filippo Spiga
• [Pw_forum] Bad data for namelist object mixing_mode Ramesh Kumar
  • [Pw_forum] Bad data for namelist object mixing_mode GAO Zhe
  • [Pw_forum] Bad data for namelist object mixing_mode Ramesh Kumar
• [Pw_forum] Creating a vacuum and isolating cell of 2layers Sohail Ahmad
  • [Pw_forum] Creating a vacuum and isolating cell of 2layers Thaneshwor Kaloni
• [Pw_forum] supercell contraction and cell_factor parameter Zhihui Zhu
  • [Pw_forum] supercell contraction and cell_factor parameter Paolo Giannozzi
  • [Pw_forum] supercell contraction and cell_factor parameter Zhihui Zhu
• [Pw_forum] phonon calculation at gamma point Anjali Singh
• [Pw_forum] "Reciprocity of Supercells & BZ Sampling", If I choose gamma point for supercell, will I lose some information? yavar pour azar
  • [Pw_forum] Fwd: "Reciprocity of Supercells & BZ Sampling", If I choose gamma point for supercell, will I lose some information? yavar pour azar
• [Pw_forum] where I can find BLYP USPP for Ru? yavar pour azar
  • [Pw_forum] where I can find BLYP USPP for Ru? GAO Zhe
  • [Pw_forum] where I can find BLYP USPP for Ru? Paolo Giannozzi
  • [Pw_forum] where I can find BLYP USPP for Ru? yavar pour azar
  • [Pw_forum] where I can find BLYP USPP for Ru? Giuseppe Mattioli
• [Pw_forum] GIPAW for metallic system Prasenjit Ghosh
  • [Pw_forum] GIPAW for metallic system Davide Ceresoli
  • [Pw_forum] GIPAW for metallic system Prasenjit Ghosh
  • [Pw_forum] GIPAW for metallic system Davide Ceresoli
  • [Pw_forum] GIPAW for metallic system Prasenjit Ghosh
• [Pw_forum] little 'bug' in bands_FS Cristian Degli Esposti Boschi
  • [Pw_forum] little 'bug' in bands_FS Paolo Giannozzi
• [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point 曹海元
  • [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point 曹海元
  • [Pw_forum] Calculate the electron-phonon interaction matrix element for specific k point 曹海元
• [Pw_forum] q not allowed in example07 Peng Tao
  • [Pw_forum] q not allowed in example07 Paolo Giannozzi
  • [Pw_forum] q not allowed in example07 Peng Tao
  • [Pw_forum] q not allowed in example07 Paolo Giannozzi
  • [Pw_forum] q not allowed in example07 Peng Tao
  • [Pw_forum] q not allowed in example07 Peng Tao
  • [Pw_forum] q not allowed in example07 GAO Zhe
  • [Pw_forum] q not allowed in example07 Peng Tao
• [Pw_forum] "espresso-4.3.2-GPU.tar.gz" and "espresso-5.0-GPU.tar.gz" available on QE-FORGE Filippo Spiga
• [Pw_forum] How to calculate NMR for negative charged system? [email protected]
• [Pw_forum] phonon eigenvector units David Miller
  • [Pw_forum] phonon eigenvector units Paolo Giannozzi
• [Pw_forum] pwcond transmission tran_file Jonathan Trinastic
  • [Pw_forum] pwcond transmission tran_file Alex Smogunov
• [Pw_forum] Calculation of Gibbs free energies Torstein Fjermestad
  • [Pw_forum] Calculation of Gibbs free energies Paolo Giannozzi
  • [Pw_forum] Calculation of Gibbs free energies Lorenzo Paulatto
  • [Pw_forum] Calculation of Gibbs free energies GAO Zhe
  • [Pw_forum] Calculation of Gibbs free energies Torstein Fjermestad
• [Pw_forum] Error #19 MoS2 ecutoff convergence test Sohail Ahmad
  • [Pw_forum] Error #19 MoS2 ecutoff convergence test Lorenzo Paulatto
  • [Pw_forum] Error #19 MoS2 ecutoff convergence test GAO Zhe
• [Pw_forum] confused by electron-phonon coupling recover 陈建勇
• [Pw_forum] U calculation in LDA+U Peng Chen
  • [Pw_forum] U calculation in LDA+U Stefano de Gironcoli
  • [Pw_forum] segfault in projwfc calculation Giuseppe Mattioli
  • [Pw_forum] segfault in projwfc calculation Paolo Giannozzi
  • [Pw_forum] U calculation in LDA+U Burak Himmetoglu
  • [Pw_forum] U calculation in LDA+U Peng Chen
  • [Pw_forum] U calculation in LDA+U Peng Chen
  • [Pw_forum] U calculation in LDA+U Burak Himmetoglu
  • [Pw_forum] U calculation in LDA+U Peng Chen
  • [Pw_forum] U calculation in LDA+U Matteo Cococcioni
  • [Pw_forum] U calculation in LDA+U Peng Chen
• [Pw_forum] regarding phonon dispersion Kondaiah Samudrala
  • [Pw_forum] regarding phonon dispersion Lorenzo Paulatto
• [Pw_forum] GRID example of e-ph Peng Tao
  • [Pw_forum] GRID example of e-ph Andrea Dal Corso
  • [Pw_forum] GRID example of e-ph Peng Tao
  • [Pw_forum] GRID example of e-ph Paolo Giannozzi
• [Pw_forum] Memory (RAM) Vo, Trinh (388C)
  • [Pw_forum] Memory (RAM) Paolo Giannozzi
• [Pw_forum] Error #17 in Convergence test of MoS2 Sohail Ahmad
  • [Pw_forum] Error #17 in Convergence test of MoS2 Paolo Giannozzi
• [Pw_forum] Old problem with cppp.x Negar Ashari Astani
  • [Pw_forum] Old problem with cppp.x Gabriele Sclauzero
  • [Pw_forum] Old problem with cppp.x Negar Ashari Astani
  • [Pw_forum] Old problem with cppp.x Gabriele Sclauzero
  • [Pw_forum] Old problem with cppp.x Negar Ashari Astani
• [Pw_forum] K-points ramzi alaya
  • [Pw_forum] k-points raha khalili
  • [Pw_forum] k-points Ari P Seitsonen
  • [Pw_forum] k-points raha khalili
• [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP? Eduardo Ariel Menendez Proupin
  • [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP? Yavar Taghipour Azar
  • [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP? Yavar Taghipour Azar
• [Pw_forum] q not allowed when using q2r.x to calculate a2F Peng Tao
• [Pw_forum] Problems in Bands of Graphene Nanoribbon Stefano de Gironcoli
• [Pw_forum] HOMO, LUMO isosurfaces. NCPP or USPP, which is more accurate? Yavar Taghipour Azar
• [Pw_forum] HOMO,LUMO isosurface, USPP or NCPP? Yavar Taghipour Azar
• [Pw_forum] Charge Density of the Graphene-Lithium System Gulcin Kucukdalyan
  • [Pw_forum] Charge Density of the Graphene-Lithium System Thaneshwor Kaloni
• [Pw_forum] I can't find the error (SOLVED!) Davide Tiana
• [Pw_forum] bamd structure of FeS2 Abolore Musari
  • [Pw_forum] bamd structure of FeS2 Paolo Giannozzi
• [Pw_forum] I can't find the error Davide Tiana
  • [Pw_forum] I can't find the error Stefano de Gironcoli
  • [Pw_forum] I can't find the error Eric J. Walter
  • [Pw_forum] I can't find the error Duy Le
• [Pw_forum] Convergence issues with Bulk Magnesium MMS
  • [Pw_forum] Convergence issues with Bulk Magnesium Giovani Faccin
  • [Pw_forum] Convergence issues with Bulk Magnesium MMS
  • [Pw_forum] Convergence issues with Bulk Magnesium MMS
  • [Pw_forum] Convergence issues with Bulk Magnesium Lorenzo Paulatto
• [Pw_forum] I can't find the error :-( Davide Tiana
  • [Pw_forum] I can't find the error :-( Janet Wong
  • [Pw_forum] I can't find the error :-( Paolo Giannozzi
  • [Pw_forum] I can't find the error :-( Duy Le
  • [Pw_forum] I can't find the error :-( Paolo Giannozzi
• [Pw_forum] core level shifting calculation manoj narayanan
  • [Pw_forum] core level shifting calculation Paolo Giannozzi
  • [Pw_forum] core level shifting calculation manoj narayanan
  • [Pw_forum] core level shifting calculation Paolo Giannozzi
  • [Pw_forum] core level shifting calculation Stefano Baroni
• [Pw_forum] unit cell of Beta-GaSe crystal Ayça Kırağası
  • [Pw_forum] unit cell of Beta-GaSe crystal Paolo Giannozzi
  • [Pw_forum] unit cell of Beta-GaSe crystal Ayça Kırağası
• [Pw_forum] error with spin polarized calculation with SOC Thaneshwor Kaloni
  • [Pw_forum] RE : error with spin polarized calculation with SOC BARRETEAU Cyrille

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