April 2011 Archives by author

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Starting: Fri Apr 1 00:42:09 CEST 2011
Ending: Sat Apr 30 10:27:36 CEST 2011
Messages: 442

• [Pw_forum] serial run when parallel intended   Omololu Akin-Ojo
• [Pw_forum] serial run when parallel intended   Omololu Akin-Ojo
• [Pw_forum] about PP PAW to Ti   Martin Andersson
• [Pw_forum] Problems with electrostatic corrections (Makov-Payne or density counter charge) for aperiodic systems in 4.2 version   Oliviero Andreussi
• [Pw_forum] plot the wave function for different spin   Carmine Autieri
• [Pw_forum] plot the wave function for different spin   Carmine Autieri
• [Pw_forum] NSCF calculation   Carmine Autieri
• [Pw_forum] NSCF calculation   Carmine Autieri
• [Pw_forum] noncollinear stress + GGA not implemented   Julen Ibanez Azpiroz
• [Pw_forum] How to read two wave-functions in one program?   Stefano Baroni
• [Pw_forum] The atomic displacements By QE and Abinit   Stefano Baroni
• [Pw_forum] Dielectric Band Structure   Stefano Baroni
• [Pw_forum] Spectra from GW and TDDFPT   Stefano Baroni
• [Pw_forum] TDDFT approach for periodic system   Stefano Baroni
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Stefano Baroni
• [Pw_forum] Generating ultra soft pseudopotential   Tram Bui
• [Pw_forum] Generating ultra soft pseudopotential   Tram Bui
• [Pw_forum] Generating ultra soft pseudopotential   Tram Bui
• [Pw_forum] Generating ultra soft pseudopotential   Tram Bui
• [Pw_forum] cesium PP generation regarding semicore state   Tram Bui
• [Pw_forum] XSpectra can not run   Matteo Calandra
• [Pw_forum] Graphene band structure   Giovanni Cantele
• [Pw_forum] radius of the sphere to calculate the projected density of states (ACTUALLY BAND STRUCTURE OF Si)   Giovanni Cantele
• [Pw_forum] Drawing the DOS   Giovanni Cantele
• [Pw_forum] Problem to run GIPAW   Davide Ceresoli
• [Pw_forum] Shirley interpolation   Mingxing Chen
• [Pw_forum] Shirley interpolation   Mingxing Chen
• [Pw_forum] Van der Waals   Adriano Mosca Conte
• [Pw_forum] RE : why are there two Fermi energies?   BARRETEAU Cyrille
• [Pw_forum] Pseudo potentials for hybrid DFT   Bernd Doser
• [Pw_forum] Fixing starting starting_ns_eigenvalue   Giovani Faccin
• [Pw_forum] The spin–orbit coupling   Giovani Faccin
• [Pw_forum] How to choose the supercell ? (cao tengfei)   Giovani Faccin
• [Pw_forum] spin polarised STM   Guido Fratesi
• [Pw_forum] Error computing Cholesky   Shruba Gangopadhyay
• [Pw_forum] Valence state identification   Liwei Geng
• [Pw_forum] graphite cell optimization failed   Eric Germaneau
• [Pw_forum] charge density output format from pp.x   Eric Germaneau
• [Pw_forum] plotrho output in color   Eric Germaneau
• [Pw_forum] inconsistent number of sticks ?   Eric Germaneau
• [Pw_forum] Fortan compiler cannot create executables   Eric Germaneau
• [Pw_forum] Graphene band structure   Eric Germaneau
• [Pw_forum] Graphene band structure   Eric Germaneau
• [Pw_forum] phonon dispersion   Eric Germaneau
• [Pw_forum] Interpretation of NEB output   Prasenjit Ghosh
• [Pw_forum] Interpretation of NEB output (Prasenjit Ghosh)   Prasenjit Ghosh
• [Pw_forum] NEB calculation   Prasenjit Ghosh
• [Pw_forum] NEB calculation   Prasenjit Ghosh
• [Pw_forum] Problem to run GIPAW   Paolo Giannozzi
• [Pw_forum] Quantum ESPRESSO v.4.3   Paolo Giannozzi
• [Pw_forum] shift of energy   Paolo Giannozzi
• [Pw_forum] 4.3 compile error.   Paolo Giannozzi
• [Pw_forum] Fixing starting starting_ns_eigenvalue   Paolo Giannozzi
• [Pw_forum] problem with fftw3   Paolo Giannozzi
• [Pw_forum] charge density output format from pp.x   Paolo Giannozzi
• [Pw_forum] How to read two wave-functions in one program?   Paolo Giannozzi
• [Pw_forum] How to read two wave-functions in one program?   Paolo Giannozzi
• [Pw_forum] Average.x   Paolo Giannozzi
• [Pw_forum] Pw_forum] Shift of Energy   Paolo Giannozzi
• [Pw_forum] charge density output format from pp.x   Paolo Giannozzi
• [Pw_forum] Number of plane waves in output files   Paolo Giannozzi
• [Pw_forum] Problems with electrostatic corrections (Makov-Payne or density counter charge) for aperiodic systems in 4.2 version   Paolo Giannozzi
• [Pw_forum] Nonlinear scaling with pool parallelization   Paolo Giannozzi
• [Pw_forum] Nonlinear scaling with pool parallelization   Paolo Giannozzi
• [Pw_forum] constrained dynamics   Paolo Giannozzi
• [Pw_forum] Born effective charge   Paolo Giannozzi
• [Pw_forum] the effect of smearing on density of states   Paolo Giannozzi
• [Pw_forum] XSpectra can not run   Paolo Giannozzi
• [Pw_forum] The effect of cold smearing on DOS   Paolo Giannozzi
• [Pw_forum] Problem with concept of parameters in pseudopotentials   Paolo Giannozzi
• [Pw_forum] XSpectra can not run   Paolo Giannozzi
• [Pw_forum] XSpectra can not run   Paolo Giannozzi
• [Pw_forum] further: born charges in rhombohedral unit cell.   Paolo Giannozzi
• [Pw_forum] XSpectra can not run   Paolo Giannozzi
• [Pw_forum] Calculation of DOS at the Fermi energy   Paolo Giannozzi
• [Pw_forum] plot the wave function for different spin   Paolo Giannozzi
• [Pw_forum] Advanced error report about vc-relax of pw.x   Paolo Giannozzi
• [Pw_forum] One minor bug, one not minor and two questions   Paolo Giannozzi
• [Pw_forum] inconsistent number of sticks ?   Paolo Giannozzi
• [Pw_forum] npool in nscf calculation   Paolo Giannozzi
• [Pw_forum] How to calculate DOS at the Fermi Energy?   Paolo Giannozzi
• [Pw_forum] problems with input_dft='vdW-DF' in neb.x calculations   Paolo Giannozzi
• [Pw_forum] Parallel configure does not work   Paolo Giannozzi
• [Pw_forum] Prolems with tetrahedra method   Paolo Giannozzi
• [Pw_forum] Pseudo potentials for hybrid DFT   Paolo Giannozzi
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Paolo Giannozzi
• [Pw_forum] radius of the sphere to calculate the projected density of states   Paolo Giannozzi
• [Pw_forum] radius of the sphere to calculate the projected density of states   Paolo Giannozzi
• [Pw_forum] radius of the sphere to calculate the projected density of states   Paolo Giannozzi
• [Pw_forum] Difference between cartesian coordinates and crystal coordinates   Paolo Giannozzi
• [Pw_forum] implementation of variation of occupations and Fermi level with perturbations   Paolo Giannozzi
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Paolo Giannozzi
• [Pw_forum] Generating ultra soft pseudopotential   Paolo Giannozzi
• [Pw_forum] why are there two Fermi energies?   Paolo Giannozzi
• [Pw_forum] One minor bug, one not minor and two questions   Paolo Giannozzi
• [Pw_forum] why are there two Fermi energies?   Paolo Giannozzi
• [Pw_forum] why are there two Fermi energies?   Paolo Giannozzi
• [Pw_forum] fft error in XSPECTRA of 4.3 version   Paolo Giannozzi
• [Pw_forum] Error computing Cholesky   Paolo Giannozzi
• [Pw_forum] Error in the NEB calculations using QE 4.3   Paolo Giannozzi
• [Pw_forum] About band plot   Paolo Giannozzi
• [Pw_forum] epsilon_0   Paolo Giannozzi
• [Pw_forum] dos calculation   Paolo Giannozzi
• [Pw_forum] radius of the sphere to calculate the projected density of states   Gianluca Giovannetti
• [Pw_forum] radius of the sphere to calculate the projected density of states   Gianluca Giovannetti
• [Pw_forum] radius of the sphere to calculate the projected density of states   Gianluca Giovannetti
• [Pw_forum] Problem to run GIPAW   Ronaldo Giro
• [Pw_forum] Problem with pseudopotential   Stefano de Gironcoli
• [Pw_forum] Calculational equation of PDOS   Stefano de Gironcoli
• [Pw_forum] charge density output format from pp.x   Stefano de Gironcoli
• [Pw_forum] problem with fftw3   Stefano de Gironcoli
• [Pw_forum] shift of energy   Stefano de Gironcoli
• [Pw_forum] Shift of Energy   Stefano de Gironcoli
• [Pw_forum] Pw_forum Digest, Vol 46, Issue 12   Stefano de Gironcoli
• [Pw_forum] plotrho output in color   Stefano de Gironcoli
• [Pw_forum] Born effective charge   Stefano de Gironcoli
• [Pw_forum] Born effective charge   Stefano de Gironcoli
• [Pw_forum] LDA+U & phonon   Stefano de Gironcoli
• [Pw_forum] further: born charges in rhombohedral unit cell.   Stefano de Gironcoli
• [Pw_forum] further: born charges in rhombohedral unit cell.   Stefano de Gironcoli
• [Pw_forum] further: born charges in rhombohedral unit cell.   Stefano de Gironcoli
• [Pw_forum] serial run when parallel intended   Stefano de Gironcoli
• [Pw_forum] One minor bug, one not minor and two questions   Stefano de Gironcoli
• [Pw_forum] One minor bug, one not minor and two questions   Stefano de Gironcoli
• [Pw_forum] One minor bug, one not minor and two questions   Stefano de Gironcoli
• [Pw_forum] Regarding accuracy in total energy   Stefano de Gironcoli
• [Pw_forum] total energy   Stefano de Gironcoli
• [Pw_forum] npool in nscf calculation   Stefano de Gironcoli
• [Pw_forum] NSCF calculation   Stefano de Gironcoli
• [Pw_forum] total energy   Stefano de Gironcoli
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Stefano de Gironcoli
• [Pw_forum] implementation of variation of occupations and Fermi level with perturbations   Stefano de Gironcoli
• [Pw_forum] implementation of variation of occupations and Fermi level with perturbations   Stefano de Gironcoli
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Stefano de Gironcoli
• [Pw_forum] cell(dm)   Stefano de Gironcoli
• [Pw_forum] cell(dm)   Stefano de Gironcoli
• [Pw_forum] vdW functional not implemented for spin polarized runs   Stefano de Gironcoli
• [Pw_forum] vdW functional not implemented for spin polarized runs   Stefano de Gironcoli
• [Pw_forum] Supercell totlal energy   Stefano de Gironcoli
• [Pw_forum] LO-TO splitting in dynmat.x   Stefano de Gironcoli
• [Pw_forum] vdW functional not implemented for spin polarized runs   Stefano de Gironcoli
• [Pw_forum] LO-TO splitting in dynmat.x   Stefano de Gironcoli
• [Pw_forum] How to restart ph.x calculation?   Sanjeev Gupta
• [Pw_forum] dos vs. pdos.tot   Mehrnoosh Hazrati
• [Pw_forum] dos vs. pdos.tot   Mehrnoosh Hazrati
• [Pw_forum] Drawing the DOS   Mehrnoosh Hazrati
• [Pw_forum] About band plot   Mehrnoosh Hazrati
• [Pw_forum] shift of energy   Eyvaz Isaev
• [Pw_forum] The spin–orbit coupling   Eyvaz Isaev
• [Pw_forum] How to restart ph.x calculation?   Eyvaz Isaev
• [Pw_forum] how to get the Eigendisplacements by ph.x   Eyvaz Isaev
• [Pw_forum] how to get the Eigendisplacements by ph.x   Eyvaz Isaev
• [Pw_forum] Prolems with tetrahedra method   Eyvaz Isaev
• [Pw_forum] Prolems with tetrahedra method   Eyvaz Isaev
• [Pw_forum] Prolems with tetrahedra method   Eyvaz Isaev
• [Pw_forum] Prolems with tetrahedra method   Eyvaz Isaev
• [Pw_forum] Pseudo potentials for hybrid DFT   Eyvaz Isaev
• [Pw_forum] Pseudo potentials for hybrid DFT   Eyvaz Isaev
• [Pw_forum] phonon dispersion   Eyvaz Isaev
• [Pw_forum] LO-TO splitting in dynmat.x   Eyvaz Isaev
• [Pw_forum] LO-TO splitting in dynmat.x   Eyvaz Isaev
• [Pw_forum] Problems about QHA   Eyvaz Isaev
• [Pw_forum] LO-TO splitting in dynmat.x   Eyvaz Isaev
• [Pw_forum] TDDFT for periodic systems   Johari, Priya Sudhir
• [Pw_forum] TDDFT approach for periodic system   Johari, Priya Sudhir
• [Pw_forum] TDDFT approach for periodic system   Johari, Priya Sudhir
• [Pw_forum] TDDFT approach for periodic system   Johari, Priya Sudhir
• [Pw_forum] Regarding accuracy in total energy   Shyam Khambholja
• [Pw_forum] total energy   Shyam Khambholja
• [Pw_forum] total energy   Shyam Khambholja
• [Pw_forum] total energy   Shyam Khambholja
• [Pw_forum] charge density output format from pp.x   Tone Kokalj
• [Pw_forum] Problem to run GIPAW   Emine Kucukbenli
• [Pw_forum] Problem to run GIPAW   Emine Kucukbenli
• [Pw_forum] shift of energy   Emine Kucukbenli
• [Pw_forum] Generating ultra soft pseudopotential   Emine Kucukbenli
• [Pw_forum] cell(dm)   Emine Kucukbenli
• [Pw_forum] How to restart ph.x calculation?   Alexander G. Kvashnin
• [Pw_forum] How to restart ph.x calculation?   Alexander G. Kvashnin
• [Pw_forum] Shift of Energy   Duy Le
• [Pw_forum] Generating ultra soft pseudopotential   Duy Le
• [Pw_forum] Calculation of DOS at the Fermi energy   Duy Le
• [Pw_forum] Regarding accuracy in total energy   Duy Le
• [Pw_forum] total energy   Duy Le
• [Pw_forum] Fortan compiler cannot create executables   Duy Le
• [Pw_forum] Fortan compiler cannot create executables   Duy Le
• [Pw_forum] Fortan compiler cannot create executables   Duy Le
• [Pw_forum] TDDFT approach for periodic system   Duy Le
• [Pw_forum] vdW functional not implemented for spin polarized runs   Duy Le
• [Pw_forum] vdW functional not implemented for spin polarized runs   Duy Le
• [Pw_forum] vdW functional not implemented for spin polarized runs   Duy Le
• [Pw_forum] Charge density inside the core   Baowei Liu
• [Pw_forum] Charge density inside the core   Baowei Liu
• [Pw_forum] TDDFT approach for periodic system   O. Baris Malcioglu
• [Pw_forum] TDDFT approach for periodic system   O. Baris Malcioglu
• [Pw_forum] TDDFT approach for periodic system   O. Baris Malcioglu
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   O. Baris Malcioglu
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   O. Baris Malcioglu
• [Pw_forum] TDDFT approach for periodic system   Marci
• [Pw_forum] One minor bug, one not minor and two questions   Laurence Marks
• [Pw_forum] One minor bug, one not minor and two questions   Laurence Marks
• [Pw_forum] One minor bug, one not minor and two questions   Laurence Marks
• [Pw_forum] One minor bug, one not minor and two questions   Laurence Marks
• [Pw_forum] One minor bug, one not minor and two questions   Laurence Marks
• [Pw_forum] total energy   Laurence Marks
• [Pw_forum] One minor bug, one not minor and two questions   Laurence Marks
• [Pw_forum] One minor bug, one not minor and two questions   Laurence Marks
• [Pw_forum] Dielectric Band Structure   Laurence Marks
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Laurence Marks
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Laurence Marks
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   Laurence Marks
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   Laurence Marks
• [Pw_forum] problems with input_dft='vdW-DF' in neb.x calculations   Layla Martin-Samos
• [Pw_forum] bfgs patch   Layla Martin-Samos
• [Pw_forum] problems with input_dft='vdW-DF' in neb.x calculations   Layla Martin-Samos
• [Pw_forum] NEB calculation   Layla Martin-Samos
• [Pw_forum] NEB calculation   Layla Martin-Samos
• [Pw_forum] Bug in NEB calculation with hybrid functionals   Layla Martin-Samos
• [Pw_forum] Number of plane waves in output files   Rose Mary
• [Pw_forum] phonon dispersion   Nicola Marzari
• [Pw_forum] Ultrasoft Pseudopotential of Eu   Nicola Marzari
• [Pw_forum] shift of energy   Giuseppe Mattioli
• [Pw_forum] Spectra from GW and TDDFPT   Giuseppe Mattioli
• [Pw_forum] Spectra from GW and TDDFPT   Giuseppe Mattioli
• [Pw_forum] Spectra from GW and TDDFPT   Giuseppe Mattioli
• [Pw_forum] problems with input_dft='vdW-DF' in neb.x calculations   Giuseppe Mattioli
• [Pw_forum] problems with input_dft='vdW-DF' in neb.x calculations   Giuseppe Mattioli
• [Pw_forum] Pseudo potentials for hybrid DFT   Giuseppe Mattioli
• [Pw_forum] TDDFT approach for periodic system   Giuseppe Mattioli
• [Pw_forum] About band plot   Mike Mehl
• [Pw_forum] Nonlinear scaling with pool parallelization   Markus Meinert
• [Pw_forum] Nonlinear scaling with pool parallelization   Markus Meinert
• [Pw_forum] Nonlinear scaling with pool parallelization   Markus Meinert
• [Pw_forum] Work function for Al100 in example files   Nicholas Edward Miller
• [Pw_forum] About time dependent   Mahdi Mirnezhad
• [Pw_forum] fermi energy from scf vs nscf calculations   Farzad Molani
• [Pw_forum] Fortan compiler cannot create executables   Elie Moujaes
• [Pw_forum] Fortan compiler cannot create executables   Elie Moujaes
• [Pw_forum] Fortan compiler cannot create executables   Elie Moujaes
• [Pw_forum] Fortan compiler cannot create executables   Elie Moujaes
• [Pw_forum] Fortan compiler cannot create executables   Elie Moujaes
• [Pw_forum] cell(dm)   Abolore Musari
• [Pw_forum] cell(dm)   Abolore Musari
• [Pw_forum] cell(dm)   Abolore Musari
• [Pw_forum] k-point   Abolore Musari
• [Pw_forum] k-point   Abolore Musari
• [Pw_forum] Fortan compiler cannot create executables   Masoud Nahali
• [Pw_forum] Fortan compiler cannot create executables   Masoud Nahali
• [Pw_forum] dos vs. pdos.tot   Masoud Nahali
• [Pw_forum] A problem with average.x   Rajan Pandey
• [Pw_forum] Doubt in celldm(1)   Padmaja Patnaik
• [Pw_forum] Doubt in band structure output   Padmaja Patnaik
• [Pw_forum] Another doubt in band plot   Padmaja Patnaik
• [Pw_forum] About band plot   Padmaja Patnaik
• [Pw_forum] Supercell totlal energy   Padmaja Patnaik
• [Pw_forum] Number of plane waves in output files   Lorenzo Paulatto
• [Pw_forum] NSCF calculation   Lorenzo Paulatto
• [Pw_forum] Fortan compiler cannot create executables   Lorenzo Paulatto
• [Pw_forum] why are there two Fermi energies?   Lorenzo Paulatto
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   Lorenzo Paulatto
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   Lorenzo Paulatto
• [Pw_forum] LO-TO splitting in dynmat.x   Lorenzo Paulatto
• [Pw_forum] Pw_forum] Shift of Energy   Eduardo Ariel Menendez Proupin
• [Pw_forum] Problems with electrostatic corrections (Makov-Payne or density counter charge) for aperiodic systems in 4.2 version   Eduardo Ariel Menendez Proupin
• [Pw_forum] how to get the Eigendisplacements by ph.x   Eduardo Ariel Menendez Proupin
• [Pw_forum] npool in nscf calculation   Eduardo Ariel Menendez Proupin
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Eduardo Ariel Menendez Proupin
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Eduardo Ariel Menendez Proupin
• [Pw_forum] why are there two Fermi energies?   Eduardo Ariel Menendez Proupin
• [Pw_forum] why are there two Fermi energies?   Eduardo Ariel Menendez Proupin
• [Pw_forum] why are there two Fermi energies?   Eduardo Ariel Menendez Proupin
• [Pw_forum] why are there two Fermi energies?   Eduardo Ariel Menendez Proupin
• [Pw_forum] why are there two Fermi energies?   Eduardo Ariel Menendez Proupin
• [Pw_forum] k-point   Eduardo Ariel Menendez Proupin
• [Pw_forum] About band plot   Eduardo Ariel Menendez Proupin
• [Pw_forum] LO-TO splitting in dynmat.x   Eduardo Ariel Menendez Proupin
• [Pw_forum] LO-TO splitting in dynmat.x   Bipul Rakshit
• [Pw_forum] LO-TO splitting in dynmat.x   Bipul Rakshit
• [Pw_forum] charge density output format from pp.x   Arles V. Gil Rebaza
• [Pw_forum] about PP PAW to Ti   Arles V. Gil Rebaza
• [Pw_forum] I/O performance on BG/P systems   Nichols A. Romero
• [Pw_forum] I/O performance on BG/P systems   Nichols A. Romero
• [Pw_forum] epsilon_0   S. K. S.
• [Pw_forum] Born effective charges in spin polarized systems   Davide Sangalli
• [Pw_forum] Calculational equation of PDOS   Gabriele Sclauzero
• [Pw_forum] shift of energy   Gabriele Sclauzero
• [Pw_forum] Average.x   Gabriele Sclauzero
• [Pw_forum] Teter''extended norm conserving'' pseudotential   Gabriele Sclauzero
• [Pw_forum] I/O performance on BG/P systems   Gabriele Sclauzero
• [Pw_forum] Generating ultra soft pseudopotential   Gabriele Sclauzero
• [Pw_forum] why are there two Fermi energies?   Gabriele Sclauzero
• [Pw_forum] questions about PWCOND   Alex Smogunov
• [Pw_forum] why are there two Fermi energies?   Alex Smogunov
• [Pw_forum] implementation of variation of occupations and Fermi level with perturbations   David Strubbe
• [Pw_forum] implementation of variation of occupations and Fermi level with perturbations   David Strubbe
• [Pw_forum] Shirley interpolation   David Strubbe
• [Pw_forum] implementation of variation of occupations and Fermi level with perturbations   David Strubbe
• [Pw_forum] implementation of variation of occupations and Fermi level with perturbations   David Strubbe
• [Pw_forum] PWSCF QMC interface   Mike Towler
• [Pw_forum] questions about PWCOND   TRINITE Virginie
• [Pw_forum] questions about PWCOND   TRINITE Virginie
• [Pw_forum] 4.3 compile error.   Vit
• [Pw_forum] Pseudo potentials for hybrid DFT   Vo, Trinh (388C)
• [Pw_forum] Ultrasoft Pseudopotential of Eu   Vo, Trinh (388C)
• [Pw_forum] vdW functional not implemented for spin polarized runs   WANG Wei
• [Pw_forum] Error in the NEB calculations using QE 4.3   WANG Wei
• [Pw_forum] Error in the NEB calculations using QE 4.3   WANG Wei
• [Pw_forum] vdW functional not implemented for spin polarized runs   WANG Wei
• [Pw_forum] vdW functional not implemented for spin polarized runs   WANG Wei
• [Pw_forum] Oscillations in macroscopic average of VH+Vbare   Izaak Williamson
• [Pw_forum] phonon lifetime about quantum espresso   Yamit
• [Pw_forum] Regarding how to get isosurafces of frontier orbitals   whoami ZERO
• [Pw_forum] XSpectra can not run   Yu Zhang
• [Pw_forum] XSpectra can not run   Yu Zhang
• [Pw_forum] XSpectra can not run   Yu Zhang
• [Pw_forum] XSpectra can not run   Yu Zhang
• [Pw_forum] XSpectra run problem   Yu Zhang
• [Pw_forum] XSpectra can not run   Yu Zhang
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   Hongsheng Zhao
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   Hongsheng Zhao
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   Hongsheng Zhao
• [Pw_forum] Should we use a double bond or 2 H atoms to saturate the system?   Hongsheng Zhao
• [Pw_forum] Advanced error report about vc-relax of pw.x   GAO Zhe
• [Pw_forum] Advanced error report about vc-relax of pw.x   GAO Zhe
• [Pw_forum] Parallel configure does not work   GAO Zhe
• [Pw_forum] file reading error while using pp.x   GAO Zhe
• [Pw_forum] (Solved) Re: file reading error while using pp.x   GAO Zhe
• [Pw_forum] Drawing the DOS   GAO Zhe
• [Pw_forum] dos vs. pdos.tot   GAO Zhe
• [Pw_forum] Drawing the DOS   GAO Zhe
• [Pw_forum] Problems about QHA   GAO Zhe
• [Pw_forum] Shirley interpolation   Huiqun Zhou
• [Pw_forum] Born effective charge   mohaddeseh abbasnejad
• [Pw_forum] Born effective charge   mohaddeseh abbasnejad
• [Pw_forum] LDA+U & phonon   mohaddeseh abbasnejad
• [Pw_forum] the effect of smearing on density of states   mashiat alaaii
• [Pw_forum] The effect of cold smearing on DOS   mashiat alaaii
• [Pw_forum] radius of the sphere to calculate the projected density of states   boudjemaa bouaouina
• [Pw_forum] charge density output format from pp.x   jorge.gallardo at cab.cnea.gov.ar
• [Pw_forum] charge density output format from pp.x   jorge.gallardo at cab.cnea.gov.ar
• [Pw_forum] charge density output format from pp.x   jorge.gallardo at cab.cnea.gov.ar
• [Pw_forum] Parallel configure does not work   jorge.gallardo at cab.cnea.gov.ar
• [Pw_forum] Error computing Cholesky   swapnil chandratre
• [Pw_forum] Error computing Cholesky   swapnil chandratre
• [Pw_forum] Error computing Cholesky   swapnil chandratre
• [Pw_forum] Error computing Cholesky   swapnil chandratre
• [Pw_forum] constrained dynamics   hanghui chen
• [Pw_forum] Ultrasoft Pseudopotential of Eu   hanghui chen
• [Pw_forum] Interpretation of NEB output   psavita at crlindia.com
• [Pw_forum] Interpretation of NEB output (Prasenjit Ghosh)   psavita at crlindia.com
• [Pw_forum] Interpretation of NEB output (Prasenjit Ghosh) (Prasenjit Ghosh)   psavita at crlindia.com
• [Pw_forum] NEB calculation   psavita at crlindia.com
• [Pw_forum] NEB calculation   psavita at crlindia.com
• [Pw_forum] confirm the subscription   dsagfds
• [Pw_forum] Bug in NEB calculation with hybrid functionals   hannu.komsa at epfl.ch
• [Pw_forum] how to get the Eigendisplacements by ph.x   tanycimr at gmail.com
• [Pw_forum] phonon dispersion   tanycimr at gmail.com
• [Pw_forum] Problems with electrostatic corrections (Makov-Payne or density counter charge) for aperiodic systems in 4.2 version   ilyes hamdi
• [Pw_forum] Problems with electrostatic corrections (Makov-Payne or density counter charge) for aperiodic systems in 4.2 version   ilyes hamdi
• [Pw_forum] Spectra from GW and TDDFPT   jiayudai
• [Pw_forum] Spectra from GW and TDDFPT   jiayudai
• [Pw_forum] Spectra from GW and TDDFPT   jiayudai
• [Pw_forum] fft error in XSPECTRA of 4.3 version   jiayudai
• [Pw_forum] spin polarised STM   madhura at jncasr.ac.in
• [Pw_forum] Drawing the DOS   kangbugy at lycos.co.kr
• [Pw_forum] problem with fftw3   j brandon keith
• [Pw_forum] further: born charges in rhombohedral unit cell.   sonu kumar
• [Pw_forum] further: born charges in rhombohedral unit cell.   sonu kumar
• [Pw_forum] further: born charges in rhombohedral unit cell.   sonu kumar
• [Pw_forum] further: born charges in rhombohedral unit cell.   sonu kumar
• [Pw_forum] Further: born charges in rhombohedral unit cell.   sonu kumar
• [Pw_forum] further: born charges in rhombohedral unit cell.   sonu kumar
• [Pw_forum] Pw_forum Digest, Vol 46, Issue 89   sonu kumar
• [Pw_forum] LO-TO splitting in dynmat.x   sonu kumar
• [Pw_forum] LO-TO splitting in dynmat.x   lfhuang
• [Pw_forum] LO-TO splitting in dynmat.x   lfhuang
• [Pw_forum] LO-TO splitting in dynmat.x   lfhuang
• [Pw_forum] How to read two wave-functions in one program?   xuhui luo
• [Pw_forum] bulk projected band structure   wenmei ming
• [Pw_forum] Spectra from GW and TDDFPT   mohsen modaresi
• [Pw_forum] Drawing the DOS   isaac motochi
• [Pw_forum] Graphene band structure   Mahdi Faqieh nasiri
• [Pw_forum] Graphene band structure   Mahdi Faqieh nasiri
• [Pw_forum] Teter ''extended norm-conserving'' pseudopotential   bahaareh tavakoli nejad
• [Pw_forum] Teter''extended norm conserving'' pseudotential   bahaareh tavakoli nejad
• [Pw_forum] Pw_forum Digest, Vol 46, Issue 12   bahaareh tavakoli nejad
• [Pw_forum] Problem with concept of parameters in pseudopotentials   bahaareh tavakoli nejad
• [Pw_forum] Problem with concept of parameters in pseudopotentials   bahaareh tavakoli nejad
• [Pw_forum] Average.x   meysam pazoki
• [Pw_forum] A problem with average.x   meysam pazoki
• [Pw_forum] Average.x planar vs macroscopic average   meysam pazoki
• [Pw_forum] Prolems with tetrahedra method   yumin qian
• [Pw_forum] Prolems with tetrahedra method   yumin qian
• [Pw_forum] Prolems with tetrahedra method   yumin qian
• [Pw_forum] Prolems with tetrahedra method   yumin qian
• [Pw_forum] Prolems with tetrahedra method   yumin qian
• [Pw_forum] Difference between cartesian coordinates and crystal coordinates   yumin qian
• [Pw_forum] Problems about QHA   zafar rasheed
• [Pw_forum] Calculation of DOS at the Fermi energy   r s
• [Pw_forum] How to calculate DOS at the Fermi Energy?   r s
• [Pw_forum] The spin–orbit coupling   reza sarhaddi
• [Pw_forum] shift of energy   pari shok
• [Pw_forum] shift of energy   pari shok
• [Pw_forum] Shift of Energy   pari shok
• [Pw_forum] pw.x stopped during vc-relax running   souledge
• [Pw_forum] dos calculation   wumindt2
• [Pw_forum] Valence state identification   xirainbow
• [Pw_forum] Calculational equation of PDOS   xirainbow
• [Pw_forum] Calculational equation of PDOS   xirainbow
• [Pw_forum] Born effective charge   xirainbow
• [Pw_forum] Born effective charge   xirainbow
• [Pw_forum] fermi energy from scf vs nscf calculations   xirainbow
• [Pw_forum] radius of the sphere to calculate the projected density of states   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] LO-TO splitting in dynmat.x   xirainbow
• [Pw_forum] bulk projected band structure   xirainbow
• [Pw_forum] npool in nscf calculation   shu xu
• [Pw_forum] Doubt in celldm(1)   shu xu
• [Pw_forum] Another doubt in band plot   shu xu
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Максим Попов
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Максим Попов
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Максим Попов
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Максим Попов
• [Pw_forum] new bfgs: strange behavior doing vc-relax   Максим Попов
• [Pw_forum] 4.3 compile error.   小S
• [Pw_forum] Calculation of DOS at the Fermi energy   小S
• [Pw_forum] phonon lifetime about quantum espresso   昶棘汐
• [Pw_forum] phonon lifetime about quantum espresso   昶棘汐
• [Pw_forum] How to understand the outcome of d3.x   昶棘汐
• [Pw_forum] how to get the Eigendisplacements by ph.x   昶棘汐
• [Pw_forum] The atomic displacements By QE and Abinit   昶棘汐
• [Pw_forum] phonon dispersion   昶棘汐
• [Pw_forum] How to choose the supercell ? (cao tengfei)   曹腾飞
• [Pw_forum] noncollinear stress + GGA not implemented   李斌

Last message date: Sat Apr 30 10:27:36 CEST 2011
Archived on: Sat Apr 30 10:27:54 CEST 2011

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