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• • [Pw_forum] neb.x and -ndiag option Giuseppe Mattioli
  • [Pw_forum] neb.x and -ndiag option Paolo Giannozzi
  • [Pw_forum] neb.x and -ndiag option Giuseppe Mattioli
  • [Pw_forum] neb.x and -ndiag option Axel Kohlmeyer
  • [Pw_forum] neb.x and -ndiag option Layla Martin-Samos
  • [Pw_forum] ecutrho in phonon calculations YY
  • [Pw_forum] ecutrho in phonon calculations [email protected]
• [Pw_forum] PWgui utility Sohail Ahmad
  • [Pw_forum] PWgui utility Paolo Giannozzi
• [Pw_forum] Force criteria for relaxation Payam Norouzzadeh
  • [Pw_forum] Force criteria for relaxation Guido Fratesi
  • [Pw_forum] Force criteria for relaxation Payam Norouzzadeh
  • [Pw_forum] Force criteria for relaxation Guido Fratesi
• [Pw_forum] Serial Diagonalization Paul Jennings
  • [Pw_forum] Serial Diagonalization Paolo Giannozzi
  • [Pw_forum] Serial Diagonalization Paul Jennings
  • [Pw_forum] Serial Diagonalization Paolo Giannozzi
• [Pw_forum] pp.x problem and doubts related to the point keyword Davide Tiana
  • [Pw_forum] pp.x problem and doubts related to the point keyword Giuseppe Mattioli
  • [Pw_forum] hybrid phonons Giuseppe Mattioli
  • [Pw_forum] hybrid phonons Layla Martin-Samos
• [Pw_forum] Any Norm-conserved PP database for Pwscf? Sheleon Zhang
  • [Pw_forum] Any Norm-conserved PP database for Pwscf? GAO Zhe
  • [Pw_forum] Any Norm-conserved PP database for Pwscf? Lorenzo Paulatto
  • [Pw_forum] Any Norm-conserved PP database for Pwscf? GAO Zhe
  • [Pw_forum] Any Norm-conserved PP database for Pwscf? Paolo Giannozzi
• [Pw_forum] relativitic pseudopotential for Bi, PZ approximation ramzi alaya
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Peng Tao
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Axel Kohlmeyer
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Nicola Marzari
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Stefano de Gironcoli
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Peng Tao
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Nicola Marzari
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Peng Tao
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Paolo Giannozzi
• [Pw_forum] Querry abou the kpoints in transport calculations pankaj sahota
  • [Pw_forum] Querry abou the kpoints in transport calculations Gabriele Sclauzero
• [Pw_forum] Query on band crossing Ajit Vallabhaneni
  • [Pw_forum] Query on band crossing Nicola Marzari
  • [Pw_forum] Query on band crossing Ajit Vallabhaneni
  • [Pw_forum] Query on band crossing Paolo Giannozzi
• [Pw_forum] problems modeling H2 adsorption on boron doped graphene sheet Janet Wong
  • [Pw_forum] problems modeling H2 adsorption on boron doped graphene sheet Paolo Giannozzi
• [Pw_forum] ph.x on BG/P: does not seem to be functional Latévi Max LAWSON DAKU
  • [Pw_forum] ph.x on BG/P: does not seem to be functional Latévi Max LAWSON DAKU
  • [Pw_forum] ph.x on BG/P: does not seem to be functional Paolo Giannozzi
  • [Pw_forum] ph.x on BG/P: does not seem to be functional Latévi Max LAWSON DAKU
• [Pw_forum] GW Mansoureh Pashangpour
• [Pw_forum] problem with average.x (average potential) calculation Tram Bui
  • [Pw_forum] problem with average.x (average potential) calculation Paolo Giannozzi
• [Pw_forum] Ba pseudopotential for spin-orbit calculations Eduardo Ariel Menendez Proupin
• [Pw_forum] Error in running the pwcond.x pankaj sahota
  • [Pw_forum] Error in running the pwcond.x pankaj sahota
  • [Pw_forum] Error in running the pwcond.x Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 58, Issue 9 [email protected]
• [Pw_forum] ekphon q-points and kpoint.x mesh does not match bahadir
• [Pw_forum] Phonon frequency henry odhiambo
  • [Pw_forum] Phonon frequency Axel Kohlmeyer
• [Pw_forum] convergence for lattice parameter funmi ayedun
  • [Pw_forum] convergence for lattice parameter Giovani Faccin
• [Pw_forum] help on convergence bamidele ibrahim
  • [Pw_forum] help on convergence Axel Kohlmeyer
  • [Pw_forum] help on convergence GAO Zhe
• [Pw_forum] made nanowire samad zare
  • [Pw_forum] made nanowire Axel Kohlmeyer
• [Pw_forum] band calculation Maryam Jamali
  • [Pw_forum] band calculation ehsan targholi
  • [Pw_forum] band calculation Masoud Nahali
  • [Pw_forum] band calculation Ajit Kumar Jena
  • [Pw_forum] band calculation ehsan targholi
  • [Pw_forum] band calculation Ajit Kumar Jena
  • [Pw_forum] band calculation ehsan targholi
  • [Pw_forum] band calculation Andrea Dal Corso
  • [Pw_forum] band calculation Ajit Kumar Jena
  • [Pw_forum] band calculation ehsan targholi
• [Pw_forum] loop and GGA Hua Pan
  • [Pw_forum] loop and GGA Hua Pan
• [Pw_forum] Extractring wavefunctions from complex band calculation Pavel V. Akulov
• [Pw_forum] Potassium Ultrasoft pseudopotential with PBE 李斌
  • [Pw_forum] Potassium Ultrasoft pseudopotential with PBE Guido Fratesi
• [Pw_forum] Re susanta tripathy
  • [Pw_forum] Re Banafshe Noori
• [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? 陶鹏
  • [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? Nicola Marzari
  • [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? Paolo Giannozzi
  • [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? 陶鹏
  • [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? Nicola Marzari
• [Pw_forum] How to plot the potential curve during pseudopotential generation? 陶鹏
  • [Pw_forum] How to plot the potential curve during pseudopotential generation? GAO Zhe
  • [Pw_forum] How to plot the potential curve during pseudopotential generation? Lorenzo Paulatto
  • [Pw_forum] How to plot the potential curve during pseudopotential generation? 陶鹏
  • [Pw_forum] How to plot the potential curve during pseudopotential generation? Lorenzo Paulatto
• [Pw_forum] electrostatic potential in CP calculation jia chen
  • [Pw_forum] electrostatic potential in CP calculation Paolo Giannozzi
• [Pw_forum] pseudopotential for silver Никита Вакула
  • [Pw_forum] pseudopotential for silver Paolo Giannozzi
• [Pw_forum] How to optimize a hexagonal closest-packed (hcp) structure? Romeda Azeen
  • [Pw_forum] How to optimize a hexagonal closest-packed (hcp) structure? Stefano Baroni
• [Pw_forum] problem in generating pseudopotential 陶鹏
  • [Pw_forum] problem in generating pseudopotential 陶鹏
  • [Pw_forum] problem in generating pseudopotential Lorenzo Paulatto
• [Pw_forum] dual spin polarization [email protected]
• [Pw_forum] gam.lines file problem and suggestion for a fix bahadir
  • [Pw_forum] gam.lines file problem and suggestion for a fix bahadir
  • [Pw_forum] gam.lines file problem and suggestion for a fix Paolo Giannozzi
• [Pw_forum] error in the phonon calculation for LO-TO splitting with spin-orbit coupling Luo Xin (IHPC)
  • [Pw_forum] error in the phonon calculation for LO-TO splitting with spin-orbit coupling Luo Xin (IHPC)
• [Pw_forum] regarding to SOC Thaneshwor Kaloni
  • [Pw_forum] regarding to SOC ramzi alaya
• [Pw_forum] How to extract high symmetry kpoints from SCF calculation Olayinka, Samson A.
  • [Pw_forum] How to extract high symmetry kpoints from SCF calculation Giuseppe Mattioli
  • [Pw_forum] How to extract high symmetry kpoints from SCF calculation Michael Mehl
• [Pw_forum] control of relaxation procedure Payam Norouzzadeh
  • [Pw_forum] control of relaxation procedure Payam Norouzzadeh
• [Pw_forum] How to parallelize phonons "Alejandro Rébola"
  • [Pw_forum] How to parallelize phonons William Parker
  • [Pw_forum] How to parallelize phonons "Alejandro Rébola"
  • [Pw_forum] How to parallelize phonons Paolo Giannozzi
  • [Pw_forum] How to parallelize phonons William Parker
  • [Pw_forum] How to parallelize phonons William Parker
  • [Pw_forum] How to parallelize phonons Paolo Giannozzi
  • [Pw_forum] How to parallelize phonons Paolo Giannozzi
  • [Pw_forum] How to parallelize phonons "Alejandro Rébola"
• [Pw_forum] question on electron phonon calculations. Elie M
• [Pw_forum] NEB "spring constants" Vic Bermudez
• [Pw_forum] How to get Fermi energy applying electric field Thaneshwor Kaloni
• [Pw_forum] test case with structure relaxation Wei Lai
  • [Pw_forum] test case with structure relaxation Giuseppe Mattioli
  • [Pw_forum] test case with structure relaxation Wei Lai
  • [Pw_forum] test case with structure relaxation Paolo Giannozzi
  • [Pw_forum] test case with structure relaxation Wei Lai
  • [Pw_forum] test case with structure relaxation Paolo Giannozzi
  • [Pw_forum] test case with structure relaxation Wei Lai
  • [Pw_forum] test case with structure relaxation Wei Lai
• [Pw_forum] electron-phonon matrix elements for molecules Marci
• [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed sufyan
  • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed Nicola Marzari
  • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed bramha pandey
  • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed Giuseppe Mattioli
  • [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed bramha pandey
• [Pw_forum] xcrysden ramzi alaya
  • [Pw_forum] xcrysden Tone Kokalj
  • [Pw_forum] xcrysden Abolore Musari
  • [Pw_forum] xcrysden mohammad moaddeli
  • [Pw_forum] xcrysden Tone Kokalj
  • [Pw_forum] xcrysden mohammad moaddeli
  • [Pw_forum] xcrysden Tommaso Francese
  • [Pw_forum] xcrysden Tone Kokalj
• [Pw_forum] error two atoms overlap mohamed makhyoun
  • [Pw_forum] error two atoms overlap Axel Kohlmeyer
  • [Pw_forum] error two atoms overlap GAO Zhe
• [Pw_forum] [xcrysden]:how to get the output structure file as xyz format chengyu yang
  • [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format chengyu yang
  • [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format Giuseppe Mattioli
  • [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format Bertrand SITAMTZE
• [Pw_forum] Problems in running check-pw.x.j Abhinav 122
  • [Pw_forum] Problems in running check-pw.x.j Paolo Giannozzi
  • [Pw_forum] Problems in running check-pw.x.j Carlo Nervi
  • [Pw_forum] Problems in running check-pw.x.j Lorenzo Paulatto
  • [Pw_forum] Problems in running check-pw.x.j Paolo Giannozzi
• [Pw_forum] Input for lambda.x execution for el-ph coupling Elie M
  • [Pw_forum] Input for lambda.x execution for el-ph coupling bahadir
  • [Pw_forum] Input for lambda.x execution for el-ph coupling Elie M
  • [Pw_forum] Input for lambda.x execution for el-ph coupling bahadir
  • [Pw_forum] Input for lambda.x execution for el-ph coupling Elie M
  • [Pw_forum] Input for lambda.x execution for el-ph coupling bahadir
  • [Pw_forum] Input for lambda.x execution for el-ph coupling Elie M
• [Pw_forum] New version of Quantum ESPRESSO (v0.6, r8825) has been released Filippo Spiga
• [Pw_forum] Problem with QE4.0.3 Ajit Vallabhaneni
  • [Pw_forum] Problem with QE4.0.3 GAO Zhe
  • [Pw_forum] Problem with QE4.0.3 Ajit Vallabhaneni
  • [Pw_forum] Problem with QE4.0.3 Paolo Giannozzi
  • [Pw_forum] Problem with QE4.0.3 Ajit Vallabhaneni
• [Pw_forum] neb error Ihsan Erikat
  • [Pw_forum] neb error Paolo Giannozzi
  • [Pw_forum] neb error Ihsan Erikat
  • [Pw_forum] neb error Paolo Giannozzi
• [Pw_forum] problem with relax convergence in SnO2(110) surface calculation Victor Meng'wa
  • [Pw_forum] problem with relax convergence in SnO2(110) surface calculation Paolo Giannozzi
• [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0) bramha pandey
  • [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0) Nicola Marzari
  • [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0) bramha pandey
• [Pw_forum] problems with band structure calculations for SiC between ibrav 2 and ibrav 0 Tram Bui
  • [Pw_forum] problems with band structure calculations for SiC between ibrav 2 and ibrav 0 Paolo Giannozzi
• [Pw_forum] runtime error for GWW in example01-benzene Eduardo Ariel Menendez Proupin
• [Pw_forum] segmentation fault satyananda chab
  • [Pw_forum] segmentation fault Paolo Giannozzi
• [Pw_forum] error in reading namelist system Elie M
  • [Pw_forum] error in reading namelist system Ajit Vallabhaneni
  • [Pw_forum] error in reading namelist system Elie M
  • [Pw_forum] error in reading namelist system GAO Zhe
  • [Pw_forum] error in reading namelist system Paolo Giannozzi
  • [Pw_forum] error in reading namelist system Elie M
  • [Pw_forum] error in reading namelist system Paolo Giannozzi
  • [Pw_forum] error in reading namelist system Gabriele Sclauzero
  • [Pw_forum] error in reading namelist system GAO Zhe
• [Pw_forum] Small value of stress at equilibrium (T=0,P=0) bramha pandey
  • [Pw_forum] Small value of stress at equilibrium (T=0,P=0) Eduardo Ariel Menendez Proupin
  • [Pw_forum] Small value of stress at equilibrium (T=0,P=0) bramha pandey
• [Pw_forum] Is variable-cell metadynamics implemented in PWSCF or Plumed? Kiss, Ioan

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