June 2011 Archives by author

• Messages sorted by: [ thread ] [ subject ] [ date ]
• More info on this list...

Starting: Wed Jun 1 03:02:07 CEST 2011
Ending: Thu Jun 30 23:33:21 CEST 2011
Messages: 366

• [Pw_forum] Bug in v4.3.1's dos.x ?   Omololu Akin-Ojo
• [Pw_forum] Bug in v4.3.1's dos.x ?   Omololu Akin-Ojo
• [Pw_forum] Plotting KS wavefunctions in real space   Omololu Akin-Ojo
• [Pw_forum] Plotting KS wavefunctions in real space   Omololu Akin-Ojo
• [Pw_forum] Possible little mistake in W90 users guide   Julen Ibanez Azpiroz
• [Pw_forum] Possible little mistake in W90 users guide   Julen Ibanez Azpiroz
• [Pw_forum] Testing pseudopotential   Julen Ibanez Azpiroz
• [Pw_forum] NEB error: unexpected dimension in ngg   Egbert Barnard
• [Pw_forum] NEB: enexpected number of dimensons in ngg   Egbert Barnard
• [Pw_forum] Doubt in spin orbit coupling   Stefano Baroni
• [Pw_forum] how to get fermi energy for semiconductor in pwscf calculation   Stefano Baroni
• [Pw_forum] Phonon calculation of magnetic system   Stefano Baroni
• [Pw_forum] How to calculate the energy barrier for nanoribbon?   Stefano Baroni
• [Pw_forum] Constraint optimization: how to fix coordination number?   Stefano Baroni
• [Pw_forum] How we can create Supercell from atomic positions of unit cell?   Stefano Baroni
• [Pw_forum] Suitable pseudopotentials for LiH..H2O   Stefano Baroni
• [Pw_forum] filepp(1) too short   Stefano Baroni
• [Pw_forum] Layers of different materials   Stefano Baroni
• [Pw_forum] Could calculate the structure of high temperature?   Stefano Baroni
• [Pw_forum] Convergence of imaginary modes   Stefano Baroni
• [Pw_forum] q not allowed while using q2r.x   Stefano Baroni
• [Pw_forum] Low energy phonon modes   Stefano Baroni
• [Pw_forum] Problem with high accuracy and parallel ph.x   Stefano Baroni
• [Pw_forum] surface relaxation and non-zero parallel forces.   Gisela Bocan
• [Pw_forum] surface relaxation and non-zero parallel forces.   Gisela Bocan
• [Pw_forum] surface relaxation and non-zero parallel forces.   Gisela Bocan
• [Pw_forum] ecut vs energy   Gisela Bocan
• [Pw_forum] Relaxation of impurity in bulk materials   Sanda Botis
• [Pw_forum] Bug in version 4.3.1   Ludovic Briquet
• [Pw_forum] charged defect in a unit cell   Tram Bui
• [Pw_forum] espresso 4.3.1 - segmentation fault in file set_irr.f90   Andrea Dal Corso
• [Pw_forum] espresso 4.3.1 - segmentation fault in file set_irr.f90   Andrea Dal Corso
• [Pw_forum] Phonon calculation of magnetic system   Andrea Dal Corso
• [Pw_forum] HSE screening parameter   Maofeng Dou
• [Pw_forum] Warning: ieee_inexact is signaling   Devendra Dubey
• [Pw_forum] Warning: ieee_inexact is signaling   Devendra Dubey
• [Pw_forum] To set Kinetic energy cut off and ecutrho   Giovani Faccin
• [Pw_forum] ecut vs energy   Giovani Faccin
• [Pw_forum] exctracting data from evc.dat   Andrea Ferretti
• [Pw_forum] Car-Parrinello of metal surface   Sara Furlan
• [Pw_forum] Compatibility between XCrySDen and Quantum ESPRESSO   Eric Germaneau
• [Pw_forum] Too many r-vectors?   Eric Germaneau
• [Pw_forum] Too many r-vectors?   Eric Germaneau
• [Pw_forum] Three questions about phonon calculation   Prasenjit Ghosh
• [Pw_forum] Suitable pseudopotentials for LiH..H2O   Prasenjit Ghosh
• [Pw_forum] Suitable pseudopotentials for LiH..H2O   Prasenjit Ghosh
• [Pw_forum] Estimation of cpu time required without actually doing the calculation   Prasenjit Ghosh
• [Pw_forum] Plotting KS wavefunctions in real space   Prasenjit Ghosh
• [Pw_forum] Smearing and tot_magnetization   Subhradip Ghosh
• [Pw_forum] PAW and CPMD   Paolo Giannozzi
• [Pw_forum] pw.x stuck   Paolo Giannozzi
• [Pw_forum] pw.x stuck   Paolo Giannozzi
• [Pw_forum] Error with berry phase   Paolo Giannozzi
• [Pw_forum] pw.x stuck   Paolo Giannozzi
• [Pw_forum] -npool option with ph.x   Paolo Giannozzi
• [Pw_forum] NEB error: unexpected dimension in ngg   Paolo Giannozzi
• [Pw_forum] c_bands : error   Paolo Giannozzi
• [Pw_forum] About the CVS version of PWgui.   Paolo Giannozzi
• [Pw_forum] Warning: ieee_inexact is signaling   Paolo Giannozzi
• [Pw_forum] Warning: ieee_inexact is signaling   Paolo Giannozzi
• [Pw_forum] Warning: ieee_inexact is signaling   Paolo Giannozzi
• [Pw_forum] from setup : error #3 in graphene computation   Paolo Giannozzi
• [Pw_forum] Problem with the input file format for NEB   Paolo Giannozzi
• [Pw_forum] compile MPI+OpenMP version   Paolo Giannozzi
• [Pw_forum] compile MPI+OpenMP version   Paolo Giannozzi
• [Pw_forum] NEB error   Paolo Giannozzi
• [Pw_forum] querry not found in forum mail   Paolo Giannozzi
• [Pw_forum] NEB error   Paolo Giannozzi
• [Pw_forum] Dimensions dont match   Paolo Giannozzi
• [Pw_forum] CP simulation with ensemble-dft algorithm   Paolo Giannozzi
• [Pw_forum] test scf-ncpp failed   Paolo Giannozzi
• [Pw_forum] Suitable pseudopotentials for LiH..H2O   Paolo Giannozzi
• [Pw_forum] pwscf version 4.3 example 15 error   Paolo Giannozzi
• [Pw_forum] pwscf version 4.3 example 15 error   Paolo Giannozzi
• [Pw_forum] pwscf version 4.3 example 15 error   Paolo Giannozzi
• [Pw_forum] Reading fildvscf   Paolo Giannozzi
• [Pw_forum] Smearing and tot_magnetization   Paolo Giannozzi
• [Pw_forum] Clarification of a confusion related to q vector specifications in ph.x   Paolo Giannozzi
• [Pw_forum] init_london Error   Paolo Giannozzi
• [Pw_forum] how to choose ibrav   Paolo Giannozzi
• [Pw_forum] cp + wannier dynamics ---> Segmentation fault   Paolo Giannozzi
• [Pw_forum] -rsh error in phonon calculation   Paolo Giannozzi
• [Pw_forum] ibrav and celldm(4)   Paolo Giannozzi
• [Pw_forum] cp + wannier dynamics ---> Segmentation fault   Paolo Giannozzi
• [Pw_forum] esm and phonons   Paolo Giannozzi
• [Pw_forum] q not allowed while using q2r.x   Paolo Giannozzi
• [Pw_forum] cp + wannier dynamics ---> Segmentationfault   Paolo Giannozzi
• [Pw_forum] oxygen pseudopotential in tio2   Paolo Giannozzi
• [Pw_forum] Convergence with respect to ecutwfc   Paolo Giannozzi
• [Pw_forum] oxygen pseudopotential in tio2   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 48, Issue 71   Paolo Giannozzi
• [Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?   Paolo Giannozzi
• [Pw_forum] MD+vdW-DF is not implemented?   Paolo Giannozzi
• [Pw_forum] error in vc-md at 700K, 72GPa calculations   Paolo Giannozzi
• [Pw_forum] (no subject)   Stefano de Gironcoli
• [Pw_forum] surface relaxation and non-zero parallel forces.   Stefano de Gironcoli
• [Pw_forum] Wrong value for elf   Stefano de Gironcoli
• [Pw_forum] Clarification of a confusion related to q vector specifications in ph.x   Stefano de Gironcoli
• [Pw_forum] Too many r-vectors?   Stefano de Gironcoli
• [Pw_forum] including vdwl interactions during phonon calculations   Stefano de Gironcoli
• [Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?   Stefano de Gironcoli
• [Pw_forum] Problem with high accuracy and parallel ph.x   Stefano de Gironcoli
• [Pw_forum] Low energy phonon modes   Sanjeev Gupta
• [Pw_forum] how to calculate elastic constants   Sanjeev Gupta
• [Pw_forum] problem with the pdos calculation   Mehrnoosh Hazrati
• [Pw_forum] Layers of different materials   Heidari, Sareh
• [Pw_forum] Layers of different materials   Heidari, Sareh
• [Pw_forum] Partial density of states for bimetallic systems   Sven Heiles
• [Pw_forum] Norm-conserving semi-core pseudopotential generation error   Fen Hong
• [Pw_forum] Norm-conserving semi-core pseudopotential generation error   Fen Hong
• [Pw_forum] Norm-conserving semi-core pseudopotential generation error   Fen Hong
• [Pw_forum] Norm-conserving semi-core pseudopotential generation error   Fen Hong
• [Pw_forum] PBE0 convergence   Jie Jiang
• [Pw_forum] Strange message when running the svn version of pwgui for the first time.   Tone Kokalj
• [Pw_forum] Strange message when running the svn version of pwgui for the first time.   Tone Kokalj
• [Pw_forum] Strange message when running the svn version of pwgui for the first time.   Tone Kokalj
• [Pw_forum] Compatibility between XCrySDen and Quantum ESPRESSO   Tone Kokalj
• [Pw_forum] Compatibility between XCrySDen and Quantum ESPRESSO   Tone Kokalj
• [Pw_forum] Error with berry phase   Emine Kucukbenli
• [Pw_forum] Bug in v4.3.1's dos.x ?   Emine Kucukbenli
• [Pw_forum] Query regarding real space interatomic force constant   Sandeep Kumar
• [Pw_forum] pw.x stuck   Duy Le
• [Pw_forum] Problems about vibration mode and minimization   Duy Le
• [Pw_forum] init_london Error   Duy Le
• [Pw_forum] init_london Error   Duy Le
• [Pw_forum] Required modifications for restarting NEB in QE V.4.3   Chan-Woo Lee
• [Pw_forum] Invitation to connect on LinkedIn   Lucas Fernández Seivane via LinkedIn
• [Pw_forum] Invitation to connect on LinkedIn   Weiguang Chen via LinkedIn
• [Pw_forum] pw.x stuck   Jack London
• [Pw_forum] pw.x stuck   Jack London
• [Pw_forum] oxygen pseudopotential in tio2   Deyu Lu
• [Pw_forum] Pw_forum Digest, Vol 48, Issue 71   Deyu Lu
• [Pw_forum] CP simulation with ensemble-dft algorithm   Changru Ma
• [Pw_forum] Convergence of imaginary modes   Brad Malone
• [Pw_forum] Convergence of imaginary modes   Brad Malone
• [Pw_forum] Pw_forum Digest, Vol 48, Issue 68   Brad Malone
• [Pw_forum] NEB error   Layla Martin-Samos
• [Pw_forum] NEB error   Layla Martin-Samos
• [Pw_forum] Installing Quantum espresso on GPU or CPU   Layla Martin-Samos
• [Pw_forum] Could calculate the structure of high temperature?   Layla Martin-Samos
• [Pw_forum] Car-Parrinello of metal surface   Nicola Marzari
• [Pw_forum] Possible little mistake in W90 users guide   Nicola Marzari
• [Pw_forum] where can I find the training courses for QE?   Nicola Marzari
• [Pw_forum] CP simulation with ensemble-dft algorithm   Nicola Marzari
• [Pw_forum] Help for a NC PS for Zn   Nicola Marzari
• [Pw_forum] Convergence of imaginary modes   Nicola Marzari
• [Pw_forum] oxygen pseudopotential in tio2   Nicola Marzari
• [Pw_forum] Pw_forum Digest, Vol 48, Issue 71   Nicola Marzari
• [Pw_forum] how to calculate elastic constants   Nicola Marzari
• [Pw_forum] About the naming rule for k points.   Lars Matthes
• [Pw_forum] init_london Error   Giuseppe Mattioli
• [Pw_forum] MD+vdW-DF is not implemented?   Giuseppe Mattioli
• [Pw_forum] init_london Error   Giuseppe Mattioli
• [Pw_forum] Help for a NC PS for Zn   Mahdi Mirnezhad
• [Pw_forum] Grain boundary Scf calculations stopping   Elie Moujaes
• [Pw_forum] to extract k point on bilbao crystallographic server   Abolore Musari
• [Pw_forum] to extract k-point from bilbao crystallographic server   Abolore Musari
• [Pw_forum] to extract k-point from bilbao crystallographic server   Abolore Musari
• [Pw_forum] cell parameters (celldm(1)-(4)) and atomic positions optimization   Abolore Musari
• [Pw_forum] cell(dm)   Abolore Musari
• [Pw_forum] VC RELAX   Abolore Musari
• [Pw_forum] ibrav and celldm(4)   Abolore Musari
• [Pw_forum] Reading fildvscf   Siobhan O'Halloran
• [Pw_forum] Doubt in spin orbit coupling   Padmaja Patnaik
• [Pw_forum] unexpected results after relaxation   Padmaja Patnaik
• [Pw_forum] Doubt in spin orbit coupling   Padmaja Patnaik
• [Pw_forum] Fully relativistic pseudopotential   Padmaja Patnaik
• [Pw_forum] querry not found in forum mail   Padmaja Patnaik
• [Pw_forum] Problem while generating pseudopotential   Padmaja Patnaik
• [Pw_forum] Testing pseudopotential   Padmaja Patnaik
• [Pw_forum] About the CVS version of PWgui.   Lorenzo Paulatto
• [Pw_forum] About the CVS version of PWgui.   Lorenzo Paulatto
• [Pw_forum] Norm-conserving semi-core pseudopotential generation error   Lorenzo Paulatto
• [Pw_forum] Norm-conserving semi-core pseudopotential generation error   Lorenzo Paulatto
• [Pw_forum] Norm-conserving semi-core pseudopotential generation error   Lorenzo Paulatto
• [Pw_forum] About the naming rule for k points.   Lorenzo Paulatto
• [Pw_forum] Constraint optimization: how to fix coordination   Giovanni La Penna
• [Pw_forum] CP simulation with ensemble-dft algorithm   Giovanni La Penna
• [Pw_forum] CP simulation with ensemble-dft algorithm   Giovanni La Penna
• [Pw_forum] test scf-ncpp failed   Angelo Peronio
• [Pw_forum] esm and phonons   Angelo Peronio
• [Pw_forum] NEB error   Jin Qu
• [Pw_forum] NEB error   Jin Qu
• [Pw_forum] NEB error   Jin Qu
• [Pw_forum] NEB error   Jin Qu
• [Pw_forum] -npool option with ph.x   Bipul Rakshit
• [Pw_forum] BG/P allocation available through U.S. DOE INCITE program   Nichols A. Romero
• [Pw_forum] -rsh error in phonon calculation   Mohammad Saghayezhian
• [Pw_forum] phonon calculation   Mohammad Saghayezhian
• [Pw_forum] Problem with high accuracy and parallel ph.x   Mohammad Saghayezhian
• [Pw_forum] Problem with high accuracy and parallel ph.x   Mohammad Saghayezhian
• [Pw_forum] Fwd: pwscf: energy convergence of noncollinear with spin-orbit calculations, withdraw question   German Samolyuk
• [Pw_forum] Fwd: pwscf: energy convergence of noncollinear with spin-orbit calculations, withdraw question   German Samolyuk
• [Pw_forum] vc-relax runnig error   Seyed Mojtaba Rezaei Sani
• [Pw_forum] cp + wannier dynamics ---> Segmentation fault   Roberto Scipioni
• [Pw_forum] Pw_forum Digest, Vol 48, Issue 67   Roberto Scipioni
• [Pw_forum] PBE0 convergence   Gabriele Sclauzero
• [Pw_forum] nscf restart   Gabriele Sclauzero
• [Pw_forum] Fwd: pwscf: energy convergence of noncollinear with spin-orbit calculations, withdraw question   Gabriele Sclauzero
• [Pw_forum] Fwd: pwscf: energy convergence of noncollinear with spin-orbit calculations, withdraw question   Gabriele Sclauzero
• [Pw_forum] nscf restart   Gabriele Sclauzero
• [Pw_forum] compile MPI+OpenMP version   Gabriele Sclauzero
• [Pw_forum] Doubt in spin orbit coupling   Gabriele Sclauzero
• [Pw_forum] Fwd: pwscf: energy convergence of noncollinear with spin-orbit calculations, withdraw question   Gabriele Sclauzero
• [Pw_forum] ecut vs energy   Gabriele Sclauzero
• [Pw_forum] About the naming rule for k points.   Gabriele Sclauzero
• [Pw_forum] NEB error   Chenghua Sun
• [Pw_forum] NEB error   Chenghua Sun
• [Pw_forum] NEB error   Chenghua Sun
• [Pw_forum] espresso 4.3.1 - segmentation fault in file set_irr.f90   Meenakshi Sundaram
• [Pw_forum] espresso 4.3.1 - segmentation fault in file set_irr.f90   Meenakshi Sundaram
• [Pw_forum] espresso 4.3.1 - segmentation fault in file set_irr.f90   Meenakshi Sundaram
• [Pw_forum] ecut vs energy   Amin Torabi
• [Pw_forum] init_london Error   Vikas Varshney
• [Pw_forum] init_london Error   Vikas Varshney
• [Pw_forum] init_london Error   Vikas Varshney
• [Pw_forum] init_london Error   Vikas Varshney
• [Pw_forum] init_london Error   Vikas Varshney
• [Pw_forum] Clarification of a confusion related to q vector specifications in ph.x   Vikas Varshney
• [Pw_forum] Clarification of a confusion related to q vector specifications in ph.x   Vikas Varshney
• [Pw_forum] including vdwl interactions during phonon calculations   Vikas Varshney
• [Pw_forum] including vdwl interactions during phonon calculations   Vikas Varshney
• [Pw_forum] init_london Error   Vikas Varshney
• [Pw_forum] nscf restart   Vi Vo
• [Pw_forum] nscf restart   Vi Vo
• [Pw_forum] nscf restart   Vi Vo
• [Pw_forum] compiling QHA   Riping WANG
• [Pw_forum] MD+vdW-DF is not implemented?   WANG Wei
• [Pw_forum] MD+vdW-DF is not implemented?   WANG Wei
• [Pw_forum] error in vc-md at 700K, 72GPa calculations   WANG Wei
• [Pw_forum] error in vc-md at 700K, 72GPa calculations   WANG Wei
• [Pw_forum] Relaxation of impurity in bulk materials   Izaak Williamson
• [Pw_forum] Compatibility between XCrySDen and Quantum ESPRESSO   Izaak Williamson
• [Pw_forum] Compatibility between XCrySDen and Quantum ESPRESSO   Izaak Williamson
• [Pw_forum] Mailman will remind you of your   Woozy
• [Pw_forum] How to use the wave functions   Ge Xiaochuan
• [Pw_forum] from setup : error #3 in graphene computation   ?nkaya Ugur Yigit
• [Pw_forum] pw.x stuck   Yongsheng Zhang
• [Pw_forum] pw.x stuck   Yongsheng Zhang
• [Pw_forum] FFT grid and cutoff energy.   Hongsheng Zhao
• [Pw_forum] Ensure the 1D periodical boundary condition along y axis when constructing a ZnO nanowire from the xyz file.   Hongsheng Zhao
• [Pw_forum] How many repeated units along the periodical direction should be used for nanowire/nanoribbon calculations?   Hongsheng Zhao
• [Pw_forum] About the CVS version of PWgui.   Hongsheng Zhao
• [Pw_forum] Defining 1-D Graphene Nanoribbon   Hongsheng Zhao
• [Pw_forum] About the CVS version of PWgui.   Hongsheng Zhao
• [Pw_forum] About the CVS version of PWgui.   Hongsheng Zhao
• [Pw_forum] About the CVS version of PWgui.   Hongsheng Zhao
• [Pw_forum] Strange message when running the svn version of pwgui for the first time.   Hongsheng Zhao
• [Pw_forum] About the CVS version of PWgui.   Hongsheng Zhao
• [Pw_forum] Strange message when running the svn version of pwgui for the first time.   Hongsheng Zhao
• [Pw_forum] Strange message when running the svn version of pwgui for the first time.   Hongsheng Zhao
• [Pw_forum] Strange message when running the svn version of pwgui for the first time.   Hongsheng Zhao
• [Pw_forum] Interface model and calculation with pwscf.   Hongsheng Zhao
• [Pw_forum] How to calculate the energy barrier for nanoribbon?   Hongsheng Zhao
• [Pw_forum] Compatibility between XCrySDen and Quantum ESPRESSO   Hongsheng Zhao
• [Pw_forum] Compatibility between XCrySDen and Quantum ESPRESSO   Hongsheng Zhao
• [Pw_forum] About the naming rule for k points.   Hongsheng Zhao
• [Pw_forum] Compute the distance between two point in reciprocal lattice.   Hongsheng Zhao
• [Pw_forum] Compute the distance between two point in reciprocal lattice.   Hongsheng Zhao
• [Pw_forum] About the naming rule for k points.   Hongsheng Zhao
• [Pw_forum] The issue of k-points in CARTESIAN coordinates obtained by XCrySDen-1.5.24.   Hongsheng Zhao
• [Pw_forum] The issue of k-points in CARTESIAN coordinates obtained by XCrySDen-1.5.24.   Hongsheng Zhao
• [Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?   Hongsheng Zhao
• [Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?   Hongsheng Zhao
• [Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?   Hongsheng Zhao
• [Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?   Hongsheng Zhao
• [Pw_forum] how to calculate elastic constants   Hongsheng Zhao
• [Pw_forum] how to calculate elastic constants   Hongsheng Zhao
• [Pw_forum] Strange message when running the svn version of pwgui for the first time.   GAO Zhe
• [Pw_forum] how to get fermi energy for semiconductor in pwscf calculation   GAO Zhe
• [Pw_forum] how to get fermi energy for semiconductor in pwscf calculation   GAO Zhe
• [Pw_forum] the scf.in file for Phonon dispersion calculation   GAO Zhe
• [Pw_forum] How we can create Supercell from atomic positions of unit cell?   GAO Zhe
• [Pw_forum] q not allowed while using q2r.x   GAO Zhe
• [Pw_forum] how to choose ibrav   GAO Zhe
• [Pw_forum] Convergence with respect to ecutwfc   GAO Zhe
• [Pw_forum] q not allowed while using q2r.x   GAO Zhe
• [Pw_forum] how to calculate elastic constants   GAO Zhe
• [Pw_forum] compile MPI+OpenMP version   Huiqun Zhou
• [Pw_forum] compile MPI+OpenMP version   Huiqun Zhou
• [Pw_forum] espresso 4.3.1 - segmentation fault in file set_irr.f90   Huiqun Zhou
• [Pw_forum] to extract k-point from bilbao crystallographic server   Huiqun Zhou
• [Pw_forum] VC RELAX   Huiqun Zhou
• [Pw_forum] Reading fildvscf   Huiqun Zhou
• [Pw_forum] how to choose ibrav   Huiqun Zhou
• [Pw_forum] CP simulation with ensemble-dft algorithm   pascal boulet
• [Pw_forum] CP simulation with ensemble-dft algorithm   pascal boulet
• [Pw_forum] CP simulation with ensemble-dft algorithm   pascal boulet
• [Pw_forum] CP simulation with ensemble-dft algorithm   pascal boulet
• [Pw_forum] CP simulation with ensemble-dft algorithm   pascal boulet
• [Pw_forum] optimized cell parameters with pw version 4.2.1 versus 4.3.1   pascal boulet
• [Pw_forum] optimized cell parameters with pw version 4.2.1 versus 4.3.1   pascal boulet
• [Pw_forum] filepp(1) too short   jorge.gallardo at cab.cnea.gov.ar
• [Pw_forum] Error with berry phase   swapnil chandratre
• [Pw_forum] Error with berry phase   swapnil chandratre
• [Pw_forum] c_bands : error   swapnil chandratre
• [Pw_forum] Defining 1-D Graphene Nanoribbon   swapnil chandratre
• [Pw_forum] Defining 1-D Graphene Nanoribbon   swapnil chandratre
• [Pw_forum] Dimensions dont match   swapnil chandratre
• [Pw_forum] PAW and CPMD   m.g.p.krishna at chem.leidenuniv.nl
• [Pw_forum] Constraint optimization: how to fix coordination number?   m.g.p.krishna at chem.leidenuniv.nl
• [Pw_forum] Constraints   m.g.p.krishna at chem.leidenuniv.nl
• [Pw_forum] Constraints   m.g.p.krishna at chem.leidenuniv.nl
• [Pw_forum] Constraint optimization: how to fix coordination number?   m.g.p.krishna at chem.leidenuniv.nl
• [Pw_forum] The issue of k-points in CARTESIAN coordinates obtained by XCrySDen-1.5.24.   jia chen
• [Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?   jia chen
• [Pw_forum] graphene phonon dispersion   Vasse chis
• [Pw_forum] Problem with the input file format for NEB   psavita at crlindia.com
• [Pw_forum] Fully relativistic pseudopotential   psavita at crlindia.com
• [Pw_forum] Suitable pseudopotentials for LiH..H2O   psavita at crlindia.com
• [Pw_forum] Suitable pseudopotentials for LiH..H2O   psavita at crlindia.com
• [Pw_forum] Suitable pseudopotentials for LiH..H2O   psavita at crlindia.com
• [Pw_forum] Bug in version 4.3.1   giannozz at democritos.it
• [Pw_forum] HSE screening parameter   hannu.komsa at epfl.ch
• [Pw_forum] How to shift the fermi energy? Use tot_charge ?   gbliu
• [Pw_forum] Convergence with respect to ecutwfc   priyanka goud
• [Pw_forum] Phonon calculation of magnetic system   mayank gupta
• [Pw_forum] phonons   bothina hamad
• [Pw_forum] phonons   bothina hamad
• [Pw_forum] Wrong value for elf   nazari at iasbs.ac.ir
• [Pw_forum] how to get fermi energy for semiconductor in pwscf calculation   bamidele ibrahim
• [Pw_forum] how to get fermi energy for semiconductor in pwscf calculation   bamidele ibrahim
• [Pw_forum] how to get fermi energy for semiconductor in pwscf calculation   bamidele ibrahim
• [Pw_forum] absorption spectrum calculation   bamidele ibrahim
• [Pw_forum] how to calculate elastic constants   bamidele ibrahim
• [Pw_forum] how to calculate elastic constants   bamidele ibrahim
• [Pw_forum] how to choose ibrav   tian kong
• [Pw_forum] how to choose ibrav   tian kong
• [Pw_forum] tetrahedra file for Trigonal R unit cell in QHA code ?   sonu kumar
• [Pw_forum] how to get fermi energy for semiconductor in pwscf calculation   lfhuang
• [Pw_forum] Smearing and tot_magnetization   ar_ma86 at libero.it
• [Pw_forum] exctracting data from evc.dat   ar_ma86 at libero.it
• [Pw_forum] Could calculate the structure of high temperature?   lucking-pine
• [Pw_forum] Could calculate the structure of high temperature?   lucking-pine
• [Pw_forum] Relaxation of impurity in bulk materials   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] Relaxation of impurity in bulk materials   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] Suitable pseudopotentials for LiH..H2O   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] commands   henry odhiambo
• [Pw_forum] surface relaxation and non-zero parallel forces.   mohnish pandey
• [Pw_forum] How to use the wave functions   mohnish pandey
• [Pw_forum] To set Kinetic energy cut off and ecutrho   yuva rani
• [Pw_forum] Constraints   yuva rani
• [Pw_forum] Dimensions dont match   yuva rani
• [Pw_forum] Constraints   yuva rani
• [Pw_forum] Constraints   yuva rani
• [Pw_forum] Constraints   yuva rani
• [Pw_forum] (no subject)   yuva rani
• [Pw_forum] How we can create Supercell from atomic positions of unit cell?   zafar rasheed
• [Pw_forum] Installing Quantum espresso on GPU or CPU   farid taherkhani
• [Pw_forum] How to use the wave functions   yaohua tan
• [Pw_forum] Three questions about phonon calculation   xirainbow
• [Pw_forum] where can I find the training courses for QE?   chengyu yang
• [Pw_forum] Setting parameters about carbon nanotube/metal system   chengyu yang
• [Pw_forum] graphene phonon dispersion   yccheng.nju
• [Pw_forum] Three questions about phonon calculation   yhho
• [Pw_forum] Three questions about phonon calculation   yhho
• [Pw_forum] Problems about vibration mode and minimization   yhho
• [Pw_forum] the scf.in file for Phonon dispersion calculation   yhho
• [Pw_forum] graphene phonon dispersion   yhho
• [Pw_forum] graphene phonon dispersion   yhho
• [Pw_forum] pwscf version 4.3 example 15 error   xu yuehua
• [Pw_forum] pwscf version 4.3 example 15 error   xu yuehua
• [Pw_forum] pwscf version 4.3 example 15 error   xu yuehua
• [Pw_forum] raman intensity for few layer graphene   xu yuehua
• [Pw_forum] Problems about vibration mode and minimization   程迎春
• [Pw_forum] raman intensity for few layer graphene   程迎春

Last message date: Thu Jun 30 23:33:21 CEST 2011
Archived on: Thu Jun 30 23:33:38 CEST 2011

• Messages sorted by: [ thread ] [ subject ] [ date ]
• More info on this list...