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• 2012/04/12 [Pw_forum] Force criteria for relaxation Guido Fratesi
• 2012/04/12 [Pw_forum] Force criteria for relaxation Payam Norouzzadeh
• 2012/04/12 [Pw_forum] hybrid phonons Giuseppe Mattioli
• 2012/04/12 [Pw_forum] pp.x problem and doubts related to the point keyword Giuseppe Mattioli
• 2012/04/12 [Pw_forum] Any Norm-conserved PP database for Pwscf? GAO Zhe
• 2012/04/12 [Pw_forum] Serial Diagonalization Paul Jennings
• 2012/04/12 [Pw_forum] Any Norm-conserved PP database for Pwscf? Lorenzo Paulatto
• 2012/04/12 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Peng Tao
• 2012/04/12 [Pw_forum] pp.x problem and doubts related to the point keyword Davide Tiana
• 2012/04/12 [Pw_forum] Any Norm-conserved PP database for Pwscf? Paolo Giannozzi
• 2012/04/12 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Paolo Giannozzi
• 2012/04/12 [Pw_forum] Any Norm-conserved PP database for Pwscf? GAO Zhe
• 2012/04/12 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Nicola Marzari
• 2012/04/11 [Pw_forum] Any Norm-conserved PP database for Pwscf? Sheleon Zhang
• 2012/04/11 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Stefano de Gironcoli
• 2012/04/11 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Peng Tao
• 2012/04/11 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Nicola Marzari
• 2012/04/11 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Axel Kohlmeyer
• 2012/04/11 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation Peng Tao
• 2012/04/11 [Pw_forum] relativitic pseudopotential for Bi, PZ approximation ramzi alaya
• 2012/04/11 [Pw_forum] Potassium Ultrasoft pseudopotential with PBE Guido Fratesi
• 2012/04/11 [Pw_forum] Query on band crossing Nicola Marzari
• 2012/04/11 [Pw_forum] Querry abou the kpoints in transport calculations pankaj sahota
• 2012/04/10 [Pw_forum] Query on band crossing Ajit Vallabhaneni
• 2012/04/10 [Pw_forum] problems modeling H2 adsorption on boron doped graphene sheet Janet Wong
• 2012/04/10 [Pw_forum] ph.x on BG/P: does not seem to be functional Latévi Max LAWSON DAKU
• 2012/04/10 [Pw_forum] How to parallelize phonons William Parker
• 2012/04/10 [Pw_forum] Error in running the pwcond.x Paolo Giannozzi
• 2012/04/10 [Pw_forum] problem with average.x (average potential) calculation Paolo Giannozzi
• 2012/04/10 [Pw_forum] ph.x on BG/P: does not seem to be functional Paolo Giannozzi
• 2012/04/10 [Pw_forum] ph.x on BG/P: does not seem to be functional Latévi Max LAWSON DAKU
• 2012/04/10 [Pw_forum] ph.x on BG/P: does not seem to be functional Latévi Max LAWSON DAKU
• 2012/04/10 [Pw_forum] xcrysden Abolore Musari
• 2012/04/10 [Pw_forum] GW Mansoureh Pashangpour
• 2012/04/09 [Pw_forum] problem with average.x (average potential) calculation Tram Bui
• 2012/04/09 [Pw_forum] Ba pseudopotential for spin-orbit calculations Eduardo Ariel Menendez Proupin
• 2012/04/09 [Pw_forum] Error in running the pwcond.x pankaj sahota
• 2012/04/08 [Pw_forum] Error in running the pwcond.x pankaj sahota
• 2012/04/08 [Pw_forum] Pw_forum Digest, Vol 58, Issue 9 [email protected]
• 2012/04/08 [Pw_forum] ekphon q-points and kpoint.x mesh does not match bahadir
• 2012/04/08 [Pw_forum] help on convergence GAO Zhe
• 2012/04/08 [Pw_forum] Phonon frequency Axel Kohlmeyer
• 2012/04/08 [Pw_forum] Phonon frequency henry odhiambo
• 2012/04/08 [Pw_forum] help on convergence Axel Kohlmeyer
• 2012/04/08 [Pw_forum] convergence for lattice parameter Giovani Faccin
• 2012/04/08 [Pw_forum] made nanowire Axel Kohlmeyer
• 2012/04/08 [Pw_forum] convergence for lattice parameter funmi ayedun
• 2012/04/08 [Pw_forum] help on convergence bamidele ibrahim
• 2012/04/08 [Pw_forum] made nanowire samad zare
• 2012/04/08 [Pw_forum] band calculation Maryam Jamali
• 2012/04/07 [Pw_forum] loop and GGA Hua Pan
• 2012/04/06 [Pw_forum] loop and GGA Hua Pan
• 2012/04/05 [Pw_forum] Extractring wavefunctions from complex band calculation Pavel V. Akulov
• 2012/04/05 [Pw_forum] Potassium Ultrasoft pseudopotential with PBE 李斌
• 2012/04/05 [Pw_forum] Re susanta tripathy
• 2012/04/05 [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? Paolo Giannozzi
• 2012/04/05 [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? Nicola Marzari
• 2012/04/05 [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? 陶鹏
• 2012/04/05 [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? Nicola Marzari
• 2012/04/05 [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x? 陶鹏
• 2012/04/04 [Pw_forum] How to plot the potential curve during pseudopotential generation? Lorenzo Paulatto
• 2012/04/04 [Pw_forum] How to plot the potential curve during pseudopotential generation? 陶鹏
• 2012/04/04 [Pw_forum] How to plot the potential curve during pseudopotential generation? Lorenzo Paulatto
• 2012/04/04 [Pw_forum] How to plot the potential curve during pseudopotential generation? GAO Zhe
• 2012/04/04 [Pw_forum] How to plot the potential curve during pseudopotential generation? 陶鹏
• 2012/04/04 [Pw_forum] (no subject) Amir hosseini
• 2012/04/03 [Pw_forum] pseudopotential for silver Paolo Giannozzi
• 2012/04/03 [Pw_forum] electrostatic potential in CP calculation Paolo Giannozzi
• 2012/04/02 [Pw_forum] electrostatic potential in CP calculation jia chen
• 2012/04/01 [Pw_forum] problem in generating pseudopotential Lorenzo Paulatto
• 2012/04/01 [Pw_forum] pseudopotential for silver Никита Вакула
• 2012/03/31 [Pw_forum] How to optimize a hexagonal closest-packed (hcp) structure? Stefano Baroni
• 2012/03/31 [Pw_forum] How to optimize a hexagonal closest-packed (hcp) structure? Romeda Azeen
• 2012/03/30 [Pw_forum] problem in generating pseudopotential 陶鹏
• 2012/03/30 [Pw_forum] problem in generating pseudopotential 陶鹏
• 2012/03/30 [Pw_forum] gam.lines file problem and suggestion for a fix Paolo Giannozzi
• 2012/03/30 [Pw_forum] dual spin polarization [email protected]
• 2012/03/30 [Pw_forum] test case with structure relaxation Wei Lai
• 2012/03/30 [Pw_forum] test case with structure relaxation Wei Lai
• 2012/03/30 [Pw_forum] regarding to SOC ramzi alaya
• 2012/03/30 [Pw_forum] test case with structure relaxation Paolo Giannozzi
• 2012/03/30 [Pw_forum] error in the phonon calculation for LO-TO splitting with spin-orbit coupling Luo Xin (IHPC)
• 2012/03/29 [Pw_forum] gam.lines file problem and suggestion for a fix bahadir
• 2012/03/29 [Pw_forum] gam.lines file problem and suggestion for a fix bahadir
• 2012/03/29 [Pw_forum] test case with structure relaxation Wei Lai
• 2012/03/29 [Pw_forum] control of relaxation procedure Payam Norouzzadeh
• 2012/03/29 [Pw_forum] How to extract high symmetry kpoints from SCF calculation Michael Mehl
• 2012/03/29 [Pw_forum] error in the phonon calculation for LO-TO splitting with spin-orbit coupling Luo Xin (IHPC)
• 2012/03/29 [Pw_forum] How to extract high symmetry kpoints from SCF calculation Giuseppe Mattioli
• 2012/03/29 [Pw_forum] regarding to SOC Thaneshwor Kaloni
• 2012/03/28 [Pw_forum] How to extract high symmetry kpoints from SCF calculation Olayinka, Samson A.
• 2012/03/28 [Pw_forum] How to parallelize phonons William Parker
• 2012/03/28 [Pw_forum] How to parallelize phonons "Alejandro Rébola"
• 2012/03/28 [Pw_forum] How to parallelize phonons Paolo Giannozzi
• 2012/03/28 [Pw_forum] How to parallelize phonons Paolo Giannozzi
• 2012/03/28 [Pw_forum] How to parallelize phonons Paolo Giannozzi
• 2012/03/28 [Pw_forum] How to parallelize phonons "Alejandro Rébola"
• 2012/03/28 [Pw_forum] How to parallelize phonons William Parker
• 2012/03/28 [Pw_forum] control of relaxation procedure Payam Norouzzadeh
• 2012/03/28 [Pw_forum] test case with structure relaxation Paolo Giannozzi
• 2012/03/28 [Pw_forum] How to parallelize phonons "Alejandro Rébola"
• 2012/03/28 [Pw_forum] test case with structure relaxation Wei Lai
• 2012/03/28 [Pw_forum] question on electron phonon calculations. Elie M
• 2012/03/28 [Pw_forum] NEB "spring constants" Vic Bermudez
• 2012/03/28 [Pw_forum] test case with structure relaxation Giuseppe Mattioli
• 2012/03/28 [Pw_forum] How to get Fermi energy applying electric field Thaneshwor Kaloni
• 2012/03/28 [Pw_forum] test case with structure relaxation Wei Lai
• 2012/03/28 [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed bramha pandey
• 2012/03/28 [Pw_forum] electron-phonon matrix elements for molecules Marci
• 2012/03/28 [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed Giuseppe Mattioli
• 2012/03/28 [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed bramha pandey
• 2012/03/28 [Pw_forum] xcrysden Tone Kokalj
• 2012/03/28 [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed Nicola Marzari
• 2012/03/28 [Pw_forum] Tow question about band gap and occupations= 'smearing or fixed sufyan
• 2012/03/27 [Pw_forum] Input for lambda.x execution for el-ph coupling Elie M
• 2012/03/27 [Pw_forum] Input for lambda.x execution for el-ph coupling bahadir
• 2012/03/27 [Pw_forum] Input for lambda.x execution for el-ph coupling Elie M
• 2012/03/27 [Pw_forum] Input for lambda.x execution for el-ph coupling bahadir
• 2012/03/27 [Pw_forum] Input for lambda.x execution for el-ph coupling Elie M
• 2012/03/27 [Pw_forum] xcrysden ramzi alaya
• 2012/03/27 [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format Bertrand SITAMTZE
• 2012/03/27 [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format Giuseppe Mattioli
• 2012/03/27 [Pw_forum] problems with band structure calculations for SiC between ibrav 2 and ibrav 0 Paolo Giannozzi
• 2012/03/27 [Pw_forum] Problems in running check-pw.x.j Paolo Giannozzi
• 2012/03/27 [Pw_forum] Problems in running check-pw.x.j Lorenzo Paulatto
• 2012/03/27 [Pw_forum] Problems in running check-pw.x.j Carlo Nervi
• 2012/03/26 [Pw_forum] error two atoms overlap GAO Zhe
• 2012/03/26 [Pw_forum] error two atoms overlap Axel Kohlmeyer
• 2012/03/26 [Pw_forum] error two atoms overlap mohamed makhyoun
• 2012/03/26 [Pw_forum] Fwd: [xcrysden]:how to get the output structure file as xyz format chengyu yang
• 2012/03/26 [Pw_forum] [xcrysden]:how to get the output structure file as xyz format chengyu yang
• 2012/03/26 [Pw_forum] Problems in running check-pw.x.j Paolo Giannozzi
• 2012/03/26 [Pw_forum] Problems in running check-pw.x.j Abhinav 122
• 2012/03/25 [Pw_forum] error in reading namelist system Paolo Giannozzi
• 2012/03/25 [Pw_forum] Input for lambda.x execution for el-ph coupling bahadir
• 2012/03/25 [Pw_forum] Input for lambda.x execution for el-ph coupling Elie M
• 2012/03/25 [Pw_forum] error in reading namelist system Elie M
• 2012/03/25 [Pw_forum] Problem with QE4.0.3 Ajit Vallabhaneni
• 2012/03/25 [Pw_forum] Problem with QE4.0.3 Paolo Giannozzi
• 2012/03/25 [Pw_forum] New version of Quantum ESPRESSO (v0.6, r8825) has been released Filippo Spiga
• 2012/03/25 [Pw_forum] Problem with QE4.0.3 Ajit Vallabhaneni
• 2012/03/25 [Pw_forum] neb error Paolo Giannozzi
• 2012/03/25 [Pw_forum] neb error Ihsan Erikat
• 2012/03/25 [Pw_forum] Problem with QE4.0.3 GAO Zhe
• 2012/03/25 [Pw_forum] Problem with QE4.0.3 Ajit Vallabhaneni
• 2012/03/25 [Pw_forum] neb error Paolo Giannozzi
• 2012/03/25 [Pw_forum] neb error Ihsan Erikat
• 2012/03/25 [Pw_forum] error in reading namelist system Paolo Giannozzi
• 2012/03/24 [Pw_forum] error in reading namelist system GAO Zhe
• 2012/03/24 [Pw_forum] error in reading namelist system GAO Zhe
• 2012/03/24 [Pw_forum] problem with relax convergence in SnO2(110) surface calculation Paolo Giannozzi
• 2012/03/24 [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0) bramha pandey
• 2012/03/24 [Pw_forum] problem with relax convergence in SnO2(110) surface calculation Victor Meng'wa
• 2012/03/24 [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0) Nicola Marzari
• 2012/03/23 [Pw_forum] Consideration of Temperature in equilibrium system(T=0, P=0) bramha pandey
• 2012/03/23 [Pw_forum] problems with band structure calculations for SiC between ibrav 2 and ibrav 0 Tram Bui
• 2012/03/23 [Pw_forum] runtime error for GWW in example01-benzene Eduardo Ariel Menendez Proupin
• 2012/03/23 [Pw_forum] segmentation fault Paolo Giannozzi
• 2012/03/22 [Pw_forum] segmentation fault satyananda chab
• 2012/03/22 [Pw_forum] Small value of stress at equilibrium (T=0,P=0) bramha pandey
• 2012/03/22 [Pw_forum] error in reading namelist system Gabriele Sclauzero
• 2012/03/22 [Pw_forum] error in reading namelist system Elie M
• 2012/03/22 [Pw_forum] error in reading namelist system Ajit Vallabhaneni
• 2012/03/22 [Pw_forum] Starting charge for hydrogen using different PP Axel Kohlmeyer
• 2012/03/22 [Pw_forum] Starting charge for hydrogen using different PP PJ Ren
• 2012/03/22 [Pw_forum] error in reading namelist system Elie M
• 2012/03/22 [Pw_forum] Fortran compilation error Elie M
• 2012/03/22 [Pw_forum] Small value of stress at equilibrium (T=0,P=0) Eduardo Ariel Menendez Proupin
• 2012/03/22 [Pw_forum] Small value of stress at equilibrium (T=0,P=0) bramha pandey
• 2012/03/22 [Pw_forum] Is variable-cell metadynamics implemented in PWSCF or Plumed? Axel Kohlmeyer
• 2012/03/22 [Pw_forum] Is variable-cell metadynamics implemented in PWSCF or Plumed? Kiss, Ioan
• 2012/03/22 [Pw_forum] Rydberg to kJ/mole Eduardo Ariel Menendez Proupin
• 2012/03/22 [Pw_forum] Fortran compilation error Abdeslam HOUARI
• 2012/03/22 [Pw_forum] About DFPT Paolo Giannozzi
• 2012/03/22 [Pw_forum] Rydberg to KJ/mole Paolo Giannozzi
• 2012/03/22 [Pw_forum] Rydberg to KJ/mole - polymorphs Lorenzo Paulatto
• 2012/03/22 [Pw_forum] Rydberg to KJ/mole Guntram Schmidt
• 2012/03/21 [Pw_forum] Fortran compilation error Axel Kohlmeyer
• 2012/03/21 [Pw_forum] Fortran compilation error Elie M
• 2012/03/21 [Pw_forum] About DFPT Caloma Trumica
• 2012/03/21 [Pw_forum] vc-relax Paolo Giannozzi
• 2012/03/21 [Pw_forum] Rydberg to KJ/mole Paolo Giannozzi
• 2012/03/21 [Pw_forum] Fwd: phonon dos bhabya sahoo
• 2012/03/21 [Pw_forum] Rydberg to KJ/mole Alex Kutana
• 2012/03/21 [Pw_forum] Rydberg to KJ/mole - polymorphs Guntram Schmidt
• 2012/03/21 [Pw_forum] Rydberg to KJ/mole Tone Kokalj
• 2012/03/21 [Pw_forum] Rydberg to KJ/mole Guntram Schmidt
• 2012/03/21 [Pw_forum] vc-relax Paolo Giannozzi
• 2012/03/20 [Pw_forum] vc-relax Cao TF
• 2012/03/20 [Pw_forum] pseudo-PP suitable for gipaw calculation mohamed makhyoun
• 2012/03/20 [Pw_forum] e-p calculation on customised K-mesh Paolo Giannozzi
• 2012/03/20 [Pw_forum] vc-relax "insulators" crispulo enrique deluque toro
• 2012/03/20 [Pw_forum] e-p calculation on customised K-mesh Ajit Vallabhaneni
• 2012/03/20 [Pw_forum] Problem with scf convergence [email protected]
• 2012/03/20 [Pw_forum] Starting charge for hydrogen using different PP PJ Ren
• 2012/03/20 [Pw_forum] Problem with scf convergence Simon Binnie
• 2012/03/20 [Pw_forum] Problem with scf convergence Jonathan Trinastic
• 2012/03/20 [Pw_forum] Fwd: phonon dos bhabya sahoo
• 2012/03/20 [Pw_forum] phonon dos bhabya sahoo
• 2012/03/20 [Pw_forum] Calculation of dynamical matrices Paolo Giannozzi

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