February 2010 Archives by author

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Starting: Mon Feb 1 06:40:41 CET 2010
Ending: Sun Feb 28 17:17:30 CET 2010
Messages: 284

• [Pw_forum] build up GWW in espresso-4.1.2   Adrian
• [Pw_forum] build up GWW in espresso-4.1.2   Adrian
• [Pw_forum] build up GWW in espresso-4.1.2   Adrian
• [Pw_forum] Error in running GWW   Adrian
• [Pw_forum] Error in running GWW   Adrian
• [Pw_forum] (no subject)   Julen Ibanez Azpiroz
• [Pw_forum] (no subject)   Julen Ibanez Azpiroz
• [Pw_forum] reference energy of eigenvalue of Kohn-Sham equation   Stefano Baroni
• [Pw_forum] TDDFT in pwscf   Stefano Baroni
• [Pw_forum] permission denied while using pw.x   Stefano Baroni
• [Pw_forum] reusing converged density   Stefano Baroni
• [Pw_forum] cannot run the pw code   Goranka Bilalbegovic
• [Pw_forum] convergence not achieved   Giovanni Cantele
• [Pw_forum] question charge density plot   Giovanni Cantele
• [Pw_forum] Cecam Tutorial: Computational spectroscopy using Quantum Espresso and related codes   Davide Ceresoli
• [Pw_forum] Visuallization   Davide Ceresoli
• [Pw_forum] LDA+U calculations to get U and J   Matteo Cococcioni
• [Pw_forum] LDA+U calculations to get U and J   Matteo Cococcioni
• [Pw_forum] questions about lda+u calculation   Matteo Cococcioni
• [Pw_forum] LDA+U calculations to get U and J   Matteo Cococcioni
• [Pw_forum] questions about lda+u calculation   Matteo Cococcioni
• [Pw_forum] LDA+U calculations to get U and J   Matteo Cococcioni
• [Pw_forum] LDA+U calculations to get U and J   Matteo Cococcioni
• [Pw_forum] LDA+U calculations   Matteo Cococcioni
• [Pw_forum] LDA+U calculations   Matteo Cococcioni
• [Pw_forum] LO-TO splitting   Reza Ebraahimi
• [Pw_forum] LO-TO splitting   Reza Ebraahimi
• [Pw_forum] how to print G+k vectors file in ASCII format   Andrea Ferretti
• [Pw_forum] how to print G+k vectors file in ASCII format   Andrea Ferretti
• [Pw_forum] how to print G+k vectors file in ASCII format   Andrea Ferretti
• [Pw_forum] installation error   Paolo Giannozzi
• [Pw_forum] installation error   Paolo Giannozzi
• [Pw_forum] Kponts generation from kpoint.x   Paolo Giannozzi
• [Pw_forum] Problems with CP when multiplicity>1   Paolo Giannozzi
• [Pw_forum] Inconsistent behaviour of check_stop_init   Paolo Giannozzi
• [Pw_forum] Excess of "Modules" references in the Makefiles   Paolo Giannozzi
• [Pw_forum] CONSTRAINTS card   Paolo Giannozzi
• [Pw_forum] slater transition state   Paolo Giannozzi
• [Pw_forum] Patch to enable signal trapping in PWscf   Paolo Giannozzi
• [Pw_forum] how to print G+k vectors file in ASCII format   Paolo Giannozzi
• [Pw_forum] CONSTRAINTS card   Paolo Giannozzi
• [Pw_forum] how to print G+k vectors file in ASCII format   Paolo Giannozzi
• [Pw_forum] scf calculation for isolated hydrogen atoms   Paolo Giannozzi
• [Pw_forum] scf calculation for isolated hydrogen atoms   Paolo Giannozzi
• [Pw_forum] Format of G vectors   Paolo Giannozzi
• [Pw_forum] stress   Paolo Giannozzi
• [Pw_forum] wave function coefficients   Paolo Giannozzi
• [Pw_forum] Fw : Help on ev.x procedures!!!   Paolo Giannozzi
• [Pw_forum] wave function coefficients   Paolo Giannozzi
• [Pw_forum] huge memory usage in ibrav=1   Paolo Giannozzi
• [Pw_forum] Fw : Help on ev.x procedures!!!   Paolo Giannozzi
• [Pw_forum] Tests and examples failing at symmetry analysis (bands.x)   Paolo Giannozzi
• [Pw_forum] Tests and examples failing at symmetry analysis (bands.x)   Paolo Giannozzi
• [Pw_forum] build up GWW in espresso-4.1.2   Paolo Giannozzi
• [Pw_forum] error in ph( ir and raman spectrum)   Paolo Giannozzi
• [Pw_forum] build up GWW in espresso-4.1.2   Paolo Giannozzi
• [Pw_forum] job is getting crashed due to when increasing nbnds   Paolo Giannozzi
• [Pw_forum] From davcio: error #10   Paolo Giannozzi
• [Pw_forum] unable to read density.dat   Paolo Giannozzi
• [Pw_forum] Error in running GWW   Paolo Giannozzi
• [Pw_forum] can some one give me a example input for pwscf1.02?   Paolo Giannozzi
• [Pw_forum] annoying failure notice   Paolo Giannozzi
• [Pw_forum] [patch] set LD_LIBS from configure command line arguments   Paolo Giannozzi
• [Pw_forum] Problem with nscf calc. in elongated supercell   Paolo Giannozzi
• [Pw_forum] mpich-mpi is neccesary !? or lam-mpi is sufficient !!   Paolo Giannozzi
• [Pw_forum] LDA+U calculations to get U and J   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations to get U and J   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations to get U and J   Gianluca Giovannetti
• [Pw_forum] questions about lda+u calculation   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations to get U and J   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations to get U and J   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations to get U and J   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations   Gianluca Giovannetti
• [Pw_forum] troubles in list of k-points for Wannier90 runs   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations   Gianluca Giovannetti
• [Pw_forum] LDA+U calculations   Gianluca Giovannetti
• [Pw_forum] PW+W90 spin polarized calculations   Gianluca Giovannetti
• [Pw_forum] Inconsistent behaviour of check_stop_init   Stefano de Gironcoli
• [Pw_forum] LO-TO splitting   Stefano de Gironcoli
• [Pw_forum] LDA or LSDA?   Stefano de Gironcoli
• [Pw_forum] submit deisa project   Stefano de Gironcoli
• [Pw_forum] vc-relax versus scf calculations on various cells   Stefano de Gironcoli
• [Pw_forum] translation of lattice planes   Stefano de Gironcoli
• [Pw_forum] vc-relax versus scf calculations on various cells   Stefano de Gironcoli
• [Pw_forum] [patch] set LD_LIBS from configure command line arguments   Henning Glawe
• [Pw_forum] Complex bandstructure for lmax=3   Nicki Frank Hinsche
• [Pw_forum] Problem with nscf calc. in elongated supercell   Nicki Frank Hinsche
• [Pw_forum] From davcio: error #10   Patrick Holvey
• [Pw_forum] From davcio: error #10   Patrick Holvey
• [Pw_forum] From davcio: error #10   Patrick Holvey
• [Pw_forum] questions about lda+u calculation   Maxim Ivanov
• [Pw_forum] Hf pseudopotential   Maxim Ivanov
• [Pw_forum] how to print G+k vectors file in ASCII format   Johari, Priya
• [Pw_forum] how to print G+k vectors file in ASCII format   Johari, Priya
• [Pw_forum] Format of G vectors   Johari, Priya
• [Pw_forum] Format of G vectors   Johari, Priya
• [Pw_forum] wave function coefficients   Johari, Priya
• [Pw_forum] wave function coefficients   Johari, Priya
• [Pw_forum] wave function coefficients   Johari, Priya
• [Pw_forum] wave function coefficients   Johari, Priya
• [Pw_forum] job is getting crashed due to when increasing nbnds   Johari, Priya
• [Pw_forum] TDDFT in pwscf   Johari, Priya
• [Pw_forum] how to conver to unit of eV/atom in supercell?   Wong Kelvin
• [Pw_forum] how to convert to unit of eV/atom in supercell?   Wong Kelvin
• [Pw_forum] convergence not achieved   Shyam Khambholja
• [Pw_forum] LDA+U calculations to get U and J   Dmitry Korotin
• [Pw_forum] LDA+U calculations to get U and J   Dmitry Korotin
• [Pw_forum] Fw : ev.x procedures   Duy Le
• [Pw_forum] how to convert to unit of eV/atom in supercell?   Duy Le
• [Pw_forum] Parallel on QuadCore   Nay Lin
• [Pw_forum] Pw_forum Digest, Vol 32, Issue 57   Nay Lin
• [Pw_forum] wave function coefficients   O. Baris Malcioglu
• [Pw_forum] permission denied while using pw.x   O. Baris Malcioglu
• [Pw_forum] Installation of QE on 20-processor MAC XServe cluster   O. Baris Malcioglu
• [Pw_forum] use of pseudopotentials   Miguel Martínez
• [Pw_forum] bug in data input?   Miguel Martínez
• [Pw_forum] Tight binding model for graphene   Nicola Marzari
• [Pw_forum] Hirshfeld charges   Leonardo Matheus
• [Pw_forum] submit deisa project   Giuseppe Mattioli
• [Pw_forum] CONSTRAINTS card   Merlin Meheut
• [Pw_forum] Inconsistent behaviour of check_stop_init   Riccardo Di Meo
• [Pw_forum] Inconsistent behaviour of check_stop_init   Riccardo Di Meo
• [Pw_forum] Patch to enable signal trapping in PWscf   Riccardo Di Meo
• [Pw_forum] Excess of "Modules" references in the Makefiles   Riccardo Di Meo
• [Pw_forum] Excess of "Modules" references in the Makefiles   Riccardo Di Meo
• [Pw_forum] Patch to enable signal trapping in PWscf   Riccardo Di Meo
• [Pw_forum] Patch to enable signal trapping in PWscf   Riccardo Di Meo
• [Pw_forum] Tight binding model for graphene   Elie Moujaes
• [Pw_forum] cannot run the pw code   Elie Moujaes
• [Pw_forum] cannot run the pw code   Elie Moujaes
• [Pw_forum] cannot run the pw code   Elie Moujaes
• [Pw_forum] permission denied while using pw.x   Elie Moujaes
• [Pw_forum] error: Fortran 77 compiler cannot create executables   Masoud Nahali
• [Pw_forum] Parallel Running the Example 01 (Stop !!!!)   Masoud Nahali
• [Pw_forum] Visuallization   Masoud Nahali
• [Pw_forum] mpich-mpi is neccesary !? or lam-mpi is sufficient !!   Masoud Nahali
• [Pw_forum] huge memory usage in ibrav=1   Carlo Nervi
• [Pw_forum] bug in data input?   Carlo Nervi
• [Pw_forum] bug in data input?   Carlo Nervi
• [Pw_forum] Parallel on QuadCore   Carlo Nervi
• [Pw_forum] about the creation of supercell with different tails   Ngoc Linh Nguyen
• [Pw_forum] Fw : ev.x procedures   Ngoc Linh Nguyen
• [Pw_forum] s and p states   Ngoc Linh Nguyen
• [Pw_forum] s and p states   Ngoc Linh Nguyen
• [Pw_forum] Cholesky decompsition in nscf calculation   Ngoc Linh Nguyen
• [Pw_forum] davico error in calculating projected density of states.   Ngoc Linh Nguyen
• [Pw_forum] use of pseudopotentials   Ngoc Linh Nguyen
• [Pw_forum] scf calculation for isolated hydrogen atoms   Ngoc Linh Nguyen
• [Pw_forum] translation of lattice planes   Ngoc Linh Nguyen
• [Pw_forum] From davcio: error #10   Ngoc Linh Nguyen
• [Pw_forum] From davcio: error #10   Ngoc Linh Nguyen
• [Pw_forum] unable to read density.dat   Ngoc Linh Nguyen
• [Pw_forum] unable to read density.dat   Ngoc Linh Nguyen
• [Pw_forum] the high symmetry line of bcc phonon dispersion calculated by pw4.1.2   Ngoc Linh Nguyen
• [Pw_forum] cannot run the pw code   Ngoc Linh Nguyen
• [Pw_forum] Parallel on QuadCore   Ngoc Linh Nguyen
• [Pw_forum] Parallel Running the Example 01 (Stop !!!!)   Ngoc Linh Nguyen
• [Pw_forum] Tests and examples failing at symmetry analysis (bands.x)   Christopher O'Brien
• [Pw_forum] Tests and examples failing at symmetry analysis (bands.x)   Christopher O'Brien
• [Pw_forum] Tests and examples failing at symmetry analysis (bands.x)   Christopher O'Brien
• [Pw_forum] error: Fortran 77 compiler cannot create executables   P.Canepa
• [Pw_forum] Inconsistent behaviour of check_stop_init   Lorenzo Paulatto
• [Pw_forum] Patch to enable signal trapping in PWscf   Lorenzo Paulatto
• [Pw_forum] about PW calculation of molecules   Lorenzo Paulatto
• [Pw_forum] scf calculation for isolated hydrogen atoms   Lorenzo Paulatto
• [Pw_forum] scf calculation for isolated hydrogen atoms   Lorenzo Paulatto
• [Pw_forum] about PW calculation of molecules   Lorenzo Paulatto
• [Pw_forum] huge memory usage in ibrav=1   Lorenzo Paulatto
• [Pw_forum] build up GWW in espresso-4.1.2   Lorenzo Paulatto
• [Pw_forum] Error in running GWW   Lorenzo Paulatto
• [Pw_forum] annoying failure notice   Lorenzo Paulatto
• [Pw_forum] cannot run the pw code   Lorenzo Paulatto
• [Pw_forum] DOS units   Lorenzo Paulatto
• [Pw_forum] Visuallization   Lorenzo Paulatto
• [Pw_forum] Problems with CP when multiplicity>1   Giovanni La Penna
• [Pw_forum] error in ph( ir and raman spectrum)   Carlos Reis
• [Pw_forum] error in ph( ir and raman spectrum)   Carlos Reis
• [Pw_forum] ev.x procedures   Bertrand SITAMTZE
• [Pw_forum] Fw : ev.x procedures   Bertrand SITAMTZE
• [Pw_forum] Fw : ev.x procedures   Bertrand SITAMTZE
• [Pw_forum] Fw : ev.x procedures   Bertrand SITAMTZE
• [Pw_forum] Fw : Help on ev.x procedures!!!   Bertrand SITAMTZE
• [Pw_forum] Fw : Help on ev.x procedures!!!   Bertrand SITAMTZE
• [Pw_forum] Fw : Help on ev.x procedures!!!   Bertrand SITAMTZE
• [Pw_forum] Fw : ev.x procedures   Sandro Scandolo
• [Pw_forum] Fw : ev.x procedures   Sandro Scandolo
• [Pw_forum] error: Fortran 77 compiler cannot create executables   Gabriele Sclauzero
• [Pw_forum] Kponts generation from kpoint.x   Gabriele Sclauzero
• [Pw_forum] how to conver to unit of eV/atom in supercell?   Gabriele Sclauzero
• [Pw_forum] (no subject)   Gabriele Sclauzero
• [Pw_forum] (no subject)   Gabriele Sclauzero
• [Pw_forum] how to convert to unit of eV/atom in supercell?   Gabriele Sclauzero
• [Pw_forum] scf calculation for isolated hydrogen atoms   Gabriele Sclauzero
• [Pw_forum] scf calculation for isolated hydrogen atoms   Gabriele Sclauzero
• [Pw_forum] scf calculation for isolated hydrogen atoms   Gabriele Sclauzero
• [Pw_forum] scf calculation for isolated hydrogen atoms   Gabriele Sclauzero
• [Pw_forum] scf calculation for isolated hydrogen atoms   Gabriele Sclauzero
• [Pw_forum] stress   Gabriele Sclauzero
• [Pw_forum] Convergence of RS-GaAs   Gabriele Sclauzero
• [Pw_forum] wave function coefficients   Gabriele Sclauzero
• [Pw_forum] wave function coefficients   Gabriele Sclauzero
• [Pw_forum] difference in DOS nad total projected density of states   Gabriele Sclauzero
• [Pw_forum] about orbital magnetic moment   Gabriele Sclauzero
• [Pw_forum] LDA+U calculations   Gabriele Sclauzero
• [Pw_forum] LDA+U calculations   Gabriele Sclauzero
• [Pw_forum] can some one give me a example input for pwscf1.02?   Gabriele Sclauzero
• [Pw_forum] the high symmetry line of bcc phonon dispersion calculated by pw4.1.2   Gabriele Sclauzero
• [Pw_forum] summation of total PDOS does not matches the Total DOS   Gabriele Sclauzero
• [Pw_forum] the high symmetry line of bcc phonon dispersion calculated by pw4.1.2   Gabriele Sclauzero
• [Pw_forum] Installation of QE on 20-processor MAC XServe cluster   Gabriele Sclauzero
• [Pw_forum] hi everyone   Gabriele Sclauzero
• [Pw_forum] hi everyone   Gabriele Sclauzero
• [Pw_forum] DOS units   Olga Sedelnikova
• [Pw_forum] build up GWW in espresso-4.1.2   Ari P Seitsonen
• [Pw_forum] Cholesky decompsition in nscf calculation   Dimpy Sharma
• [Pw_forum] davico error in calculating projected density of states.   Dimpy Sharma
• [Pw_forum] scf calculation for isolated hydrogen atoms   Dimpy Sharma
• [Pw_forum] difference in DOS nad total projected density of states   Dimpy Sharma
• [Pw_forum] summation of total PDOS does not matches the Total DOS   Dimpy Sharma
• [Pw_forum] Density of states.   Shaptrishi Sharma
• [Pw_forum] use of pseudopotentials   Shaptrishi Sharma
• [Pw_forum] Cholesky decompsition in nscf calculation   Luke Shulenburger
• [Pw_forum] reusing converged density   Luke Shulenburger
• [Pw_forum] Complex bandstructure for lmax=3   Alexandre Smogunov
• [Pw_forum] Development of a Pseudopotential Database and a community call for pseudopotentials   Derek Stewart
• [Pw_forum] Tight binding model for graphene   Hande Ustunel
• [Pw_forum] Kponts generation from kpoint.x   Vo, Trinh (388C)
• [Pw_forum] can some one give me a example input for pwscf1.02?   Wei Zhou
• [Pw_forum] can some one give me a example input for pwscf1.02?   Wei Zhou
• [Pw_forum] can some one give me a example input for pwscf1.02?   Wei Zhou
• [Pw_forum] the high symmetry line of bcc phonon dispersion calculated by pw4.1.2   Wei Zhou
• [Pw_forum] the high symmetry line of bcc phonon dispersion calculated by pw4.1.2   Wei Zhou
• [Pw_forum] the high symmetry line of bcc phonon dispersion calculated by pw4.1.2   Wei Zhou
• [Pw_forum] the high symmetry line of bcc phonon dispersion calculated by pw4.1.2   Wei Zhou
• [Pw_forum] unable to read density.dat   udayagiri sai babu
• [Pw_forum] unable to read density.dat   udayagiri sai babu
• [Pw_forum] Kponts generation from kpoint.x   vtmtrinh at caltech.edu
• [Pw_forum] Kponts generation from kpoint.x   vtmtrinh at caltech.edu
• [Pw_forum] Kponts generation from kpoint.x   vtmtrinh at caltech.edu
• [Pw_forum] vc-relax versus scf calculations on various cells   vtmtrinh at caltech.edu
• [Pw_forum] vc-relax versus scf calculations on various cells   vtmtrinh at caltech.edu
• [Pw_forum] vc-relax versus scf calculations on various cells   vtmtrinh at caltech.edu
• [Pw_forum] stress   hanghui chen
• [Pw_forum] Excess of "Modules" references in the Makefiles   marsamos at democritos.it
• [Pw_forum] Error in running GWW   marsamos at democritos.it
• [Pw_forum] Visuallization   alexandra.carvalho at epfl.ch
• [Pw_forum] reference energy of eigenvalue of Kohn-Sham equation   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Visuallization   nazari at iasbs.ac.ir
• [Pw_forum] about orbital magnetic moment   saqib.javaid at ipcms.u-strasbg.fr
• [Pw_forum] Installation of QE on 20-processor MAC XServe cluster   mark jack
• [Pw_forum] Pw_forum Digest, Vol 32, Issue 31   george manyali
• [Pw_forum] hi everyone   george manyali
• [Pw_forum] hi everyone   george manyali
• [Pw_forum] CONSTRAINTS card   merlin meheut
• [Pw_forum] submit deisa project   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] Convergence of RS-GaAs   mohsen modaresi
• [Pw_forum] Problem with nscf calc. in elongated supercell   mohsen modaresi
• [Pw_forum] Convergence of RS-GaAs   naphtaly moro
• [Pw_forum] s and p states   isaac motochi
• [Pw_forum] s and p states   isaac motochi
• [Pw_forum] s and p states   isaac motochi
• [Pw_forum] question charge density plot   premlata pandit
• [Pw_forum] about the creation of supercell with different tails   patriot pershing
• [Pw_forum] about PW calculation of molecules   patriot pershing
• [Pw_forum] about PW calculation of molecules   patriot pershing
• [Pw_forum] about supercell+defect relaxation   patriot pershing
• [Pw_forum] slater transition state   kazempoor at ph.iut.ac.ir
• [Pw_forum] installation error   dev sharma
• [Pw_forum] installation error   dev sharma
• [Pw_forum] Fw : ev.x procedures   vicky singh
• [Pw_forum] how to conver to unit of eV/atom in supercell?   vicky singh
• [Pw_forum] translation of lattice planes   vicky singh
• [Pw_forum] translation of lattice planes   vicky singh
• [Pw_forum] allow na>99 in write_ns.f90   balducci at univ.trieste.it
• [Pw_forum] how to print G+k vectors file in ASCII format   xirainbow
• [Pw_forum] Density of states.   xirainbow
• [Pw_forum] how to print G+k vectors file in ASCII format   xirainbow
• [Pw_forum] how to print G+k vectors file in ASCII format   xirainbow
• [Pw_forum] scf calculation for isolated hydrogen atoms   xirainbow
• [Pw_forum] can some one give me a example input for pwscf1.02?   xirainbow
• [Pw_forum] about supercell+defect relaxation   xirainbow
• [Pw_forum] LDA or LSDA?   Максим Иванов
• [Pw_forum] questions about lda+u calculation   Максим Иванов

Last message date: Sun Feb 28 17:17:30 CET 2010
Archived on: Wed Feb 28 11:05:37 CET 2018

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