March 2009 Archives by author

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Starting: Sun Mar 1 07:45:15 CET 2009
Ending: Tue Mar 31 14:57:11 CEST 2009
Messages: 506

• [Pw_forum] Xcrsyden   Álvaro Alves
• [Pw_forum] HUMO and LUMO   Álvaro Alves
• [Pw_forum] HUMO and LUMO   Álvaro Alves
• [Pw_forum] Phonon branch enumeration   Dal Corso Andrea
• [Pw_forum] cannot remap grid on k-point list   Dal Corso Andrea
• [Pw_forum] Fe PP   Giovanni Barcaro
• [Pw_forum] Phonon branch enumeration   Stefano Baroni
• [Pw_forum] introducing QE-forge   Stefano Baroni
• [Pw_forum] force and stress in the Berry phase method   Stefano Baroni
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   Stefano Baroni
• [Pw_forum] about the quantum tunneling of diffusing atoms   Stefano Baroni
• [Pw_forum] about the path length in NEB calculations   Cyrille Barreteau
• [Pw_forum] Choice of irreducible representations with ph.x   Cristian Degli Esposti Boschi
• [Pw_forum] I can't print my bands   Pieremanuele Canepa
• [Pw_forum] I can't print my bands   Pieremanuele Canepa
• [Pw_forum] I can't print my bands   Pieremanuele Canepa
• [Pw_forum] I can't print my bands   Pieremanuele Canepa
• [Pw_forum] I can't print my bands   Pieremanuele Canepa
• [Pw_forum] I can't print my bands   Pieremanuele Canepa
• [Pw_forum] Fwd: inconsistent DFT read   Giovanni Cantele
• [Pw_forum] timing vs QE version vs pools   Giovanni Cantele
• [Pw_forum] timing vs QE version vs pools   Giovanni Cantele
• [Pw_forum] timing vs QE version vs pools   Giovanni Cantele
• [Pw_forum] dipole moment calculation   Giovanni Cantele
• [Pw_forum] dipole moment calculation   Giovanni Cantele
• [Pw_forum] timing vs QE version vs pools   Giovanni Cantele
• [Pw_forum] Can't run any example in QE v4.0.4   Giovanni Cantele
• [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?   Weiguang Chen
• [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?   Weiguang Chen
• [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?   Weiguang Chen
• [Pw_forum] Permanent Research Fellow position in nanomagnetism   BARRETEAU Cyrille
• [Pw_forum] finite temperature DFT   Jiayu Dai
• [Pw_forum] I can't print my bands   Jiayu Dai
• [Pw_forum] DMFT+LDA   DdrSmiLe
• [Pw_forum] multiplicity   Ihsan Erikat
• [Pw_forum] Spacing in band structure   Resul Eryigit
• [Pw_forum] pseudopotential for Ce   Stefano Fabris
• [Pw_forum] LDA+U & Phonons   Andrea Floris
• [Pw_forum] charge transfer in GaAs from projwfc   G.Autes
• [Pw_forum] Fwd: inconsistent DFT read   Prasenjit Ghosh
• [Pw_forum] Fwd:   Prasenjit Ghosh
• [Pw_forum] Character energy band.   Prasenjit Ghosh
• [Pw_forum] a not reasonable initial path for NEB calculation   Prasenjit Ghosh
• [Pw_forum] a not reasonable initial path for NEB calculation   Prasenjit Ghosh
• [Pw_forum] pseudopotential for Ce   Prasenjit Ghosh
• [Pw_forum] Fixed spin moment method & Phonon calculation   Subhradip Ghosh
• [Pw_forum] Hi!I would like to cease the acception of Pwscf forum message   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] wrong record length   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama   Paolo Giannozzi
• [Pw_forum] newbie - installation problem   Paolo Giannozzi
• [Pw_forum] Re[Psi] and Im[Psi]   Paolo Giannozzi
• [Pw_forum] Problem with the Band Structure Calculation   Paolo Giannozzi
• [Pw_forum] newbie update   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] timing vs QE version vs pools   Paolo Giannozzi
• [Pw_forum] Problem with dynamical matrix file.   Paolo Giannozzi
• [Pw_forum] newbie update   Paolo Giannozzi
• [Pw_forum] A method on defining a based-centered monoclinic cell   Paolo Giannozzi
• [Pw_forum] How to change velocities of specified ions ?   Paolo Giannozzi
• [Pw_forum] ld1.x & US requires...   Paolo Giannozzi
• [Pw_forum] Phonon branch enumeration   Paolo Giannozzi
• [Pw_forum] timing vs QE version vs pools   Paolo Giannozzi
• [Pw_forum] Problem with dynamical matrix file.   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] compiling QE4.1   Paolo Giannozzi
• [Pw_forum] ld1.x & US requires...   Paolo Giannozzi
• [Pw_forum] compiling QE4.1   Paolo Giannozzi
• [Pw_forum] xcrysden+cygwin can't display relax process   Paolo Giannozzi
• [Pw_forum] forrtl: severe (59)   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error   Paolo Giannozzi
• [Pw_forum] Raman Intensity of mental   Paolo Giannozzi
• [Pw_forum] Installation of PWgui   Paolo Giannozzi
• [Pw_forum] new unit-cell volume in variable cell relaxation   Paolo Giannozzi
• [Pw_forum] Error:too many bands are not converged   Paolo Giannozzi
• [Pw_forum] Error in User Guide - ibrav   Paolo Giannozzi
• [Pw_forum] finite temperature DFT   Paolo Giannozzi
• [Pw_forum] Error in User Guide - ibrav   Paolo Giannozzi
• [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers   Paolo Giannozzi
• [Pw_forum] DMFT+LDA   Paolo Giannozzi
• [Pw_forum] about the path length in NEB calculations   Paolo Giannozzi
• [Pw_forum] TBPW program of Prof. Richard Martin of UIUC   Paolo Giannozzi
• [Pw_forum] charge transfer in GaAs from projwfc   Paolo Giannozzi
• [Pw_forum] multiplicity   Paolo Giannozzi
• [Pw_forum] DMFT+LDA   Paolo Giannozzi
• [Pw_forum] I can't print my bands   Paolo Giannozzi
• [Pw_forum] Line 325 in bands_FS.f90   Paolo Giannozzi
• [Pw_forum] I can't print my bands   Paolo Giannozzi
• [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers   Paolo Giannozzi
• [Pw_forum] PP for Planar average of all |psi|^2   Paolo Giannozzi
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   Paolo Giannozzi
• [Pw_forum] electrical polarization calculations for non-collinear magnetism   Paolo Giannozzi
• [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?   Paolo Giannozzi
• [Pw_forum] How to use tools dipole.x, voronoy.x and epsilon.x?   Paolo Giannozzi
• [Pw_forum] DMFT+LDA   Paolo Giannozzi
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   Paolo Giannozzi
• [Pw_forum] a not reasonable initial path for NEB calculation   Paolo Giannozzi
• [Pw_forum] cannot remap grid on k-point list   Paolo Giannozzi
• [Pw_forum] interpretation of the file containing the real space force constants   Paolo Giannozzi
• [Pw_forum] interpretation of the file containing the real space force constants   Paolo Giannozzi
• [Pw_forum] starting with espressso   Paolo Giannozzi
• [Pw_forum] parallelization issues   Stefano de Gironcoli
• [Pw_forum] separate the surface state and surface resonance state from the bulk state   Stefano de Gironcoli
• [Pw_forum] PBE0 in PWSCF   Stefano de Gironcoli
• [Pw_forum] unit-printing error?   Stefano de Gironcoli
• [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr   Stefano de Gironcoli
• [Pw_forum] Symmetry problem   Stefano de Gironcoli
• [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr   Stefano de Gironcoli
• [Pw_forum] HSE pseudopotentials + BNL functional   Stefano de Gironcoli
• [Pw_forum] questions about the peseudopotential for potassium titanate   Stefano de Gironcoli
• [Pw_forum] questions about the peseudopotential for potassium titanate   Stefano de Gironcoli
• [Pw_forum] HSE pseudopotentials + BNL functional   Stefano de Gironcoli
• [Pw_forum] newbie update   Henning Glawe
• [Pw_forum] newbie update   Henning Glawe
• [Pw_forum] LDA+U & Phonons   Paul M. Grant
• [Pw_forum] LDA+U & Phonons   Paul M. Grant
• [Pw_forum] ld1.x & US requires...   Paul M. Grant
• [Pw_forum] March American Physical Society Meeting, 3/15-20   Paul M. Grant
• [Pw_forum] ld1.x & US requires...   Paul M. Grant
• [Pw_forum] ld1.x & US requires...   Paul M. Grant
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   Paul M. Grant
• [Pw_forum] Line 325 in bands_FS.f90   Paul M. Grant
• [Pw_forum] Line 325 in bands_FS.f90   Paul M. Grant
• [Pw_forum] Re : Problem with the Band Structure Calculation   Djani Ait Aissa Hania
• [Pw_forum] internal position after relax   Djani Ait Aissa Hania
• [Pw_forum] HSE pseudopotentials + BNL functional   Helen
• [Pw_forum] HSE pseudopotentials + BNL functional   Helen
• [Pw_forum] HSE pseudopotentials + BNL functional   Helen
• [Pw_forum] xcrysden+cygwin can't display relax process   Dr. Shu-jun Hu
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   Eyvaz Isaev
• [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama   Eyvaz Isaev
• [Pw_forum] "charge is wrong" error   Eyvaz Isaev
• [Pw_forum] how to use fqha.x   Eyvaz Isaev
• [Pw_forum] QHA code   Eyvaz Isaev
• [Pw_forum] phonon   Eyvaz Isaev
• [Pw_forum] How to get the interatomic force constant tensor?   Eyvaz Isaev
• [Pw_forum] Line 325 in bands_FS.f90   Eyvaz Isaev
• [Pw_forum] Line 325 in bands_FS.f90   Eyvaz Isaev
• [Pw_forum] Line 325 in bands_FS.f90   Eyvaz Isaev
• [Pw_forum] I can't print my bands   Eyvaz Isaev
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   Eyvaz Isaev
• [Pw_forum] bands_FS.f90: Update   Eyvaz Isaev
• [Pw_forum] QHA in qe-forge   Eyvaz Isaev
• [Pw_forum] pwcond calculations about the transmission in two seperated spin channels   Erjun Kan
• [Pw_forum] wrong record length   Lex Kemper
• [Pw_forum] strange bandstructure   Lex Kemper
• [Pw_forum] newbie update   Lex Kemper
• [Pw_forum] newbie update   Lex Kemper
• [Pw_forum] Problem with the Band Structure Calculation   Lex Kemper
• [Pw_forum] Problem with the Band Structure Calculation   Lex Kemper
• [Pw_forum] character band.   Lex Kemper
• [Pw_forum] xcrysden+cygwin can't display relax process   Lex Kemper
• [Pw_forum] Error in User Guide - ibrav   Lex Kemper
• [Pw_forum] questions about the peseudopotential for potassium titanate   Lex Kemper
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   Axel Kohlmeyer
• [Pw_forum] wrong record length   Axel Kohlmeyer
• [Pw_forum] wrong record length   Axel Kohlmeyer
• [Pw_forum] newbie - installation problem   Axel Kohlmeyer
• [Pw_forum] newbie - installation problem   Axel Kohlmeyer
• [Pw_forum] Use of pool   Axel Kohlmeyer
• [Pw_forum] newbie - installation problem   Axel Kohlmeyer
• [Pw_forum] newbie update   Axel Kohlmeyer
• [Pw_forum] newbie update   Axel Kohlmeyer
• [Pw_forum] newbie update   Axel Kohlmeyer
• [Pw_forum] newbie update   Axel Kohlmeyer
• [Pw_forum] newbie update   Axel Kohlmeyer
• [Pw_forum] newbie update   Axel Kohlmeyer
• [Pw_forum] thermo.x   Axel Kohlmeyer
• [Pw_forum] HSE pseudopotentials   Axel Kohlmeyer
• [Pw_forum] error about band calculation with pw.x   Axel Kohlmeyer
• [Pw_forum] HSE pseudopotentials   Axel Kohlmeyer
• [Pw_forum] where is the instructions for dynmat.x   Axel Kohlmeyer
• [Pw_forum] Compiling QE 4.0.4   Axel Kohlmeyer
• [Pw_forum] questions about the peseudopotential for potassium titanate   Axel Kohlmeyer
• [Pw_forum] I/O problem with qe 4.0.4   Axel Kohlmeyer
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   Axel Kohlmeyer
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   Axel Kohlmeyer
• [Pw_forum] Line 325 in bands_FS.f90   Axel Kohlmeyer
• [Pw_forum] utilization of different Ultrasoft pseudopotentials   Axel Kohlmeyer
• [Pw_forum] Compilation of espresso-4.0.4   Axel Kohlmeyer
• [Pw_forum] Compilation of espresso-4.0.4   Axel Kohlmeyer
• [Pw_forum] utilization of different Ultrasoft pseudopotentials   Axel Kohlmeyer
• [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers   Axel Kohlmeyer
• [Pw_forum] HUMO and LUMO   Axel Kohlmeyer
• [Pw_forum] about the quantum tunneling of diffusing atoms   Axel Kohlmeyer
• [Pw_forum] Xcrsyden   Tone Kokalj
• [Pw_forum] A method on defining a based-centered monoclinic cell   Tone Kokalj
• [Pw_forum] xcrysden+cygwin can't display relax process   Tone Kokalj
• [Pw_forum] Installation of PWgui   Tone Kokalj
• [Pw_forum] Error in User Guide - ibrav   Tone Kokalj
• [Pw_forum] Error in User Guide - ibrav   Tone Kokalj
• [Pw_forum] internal position after relax   Tone Kokalj
• [Pw_forum] internal position after relax   Tone Kokalj
• [Pw_forum] (2) about the logical parameter "use_masses" in IONS card   Tone Kokalj
• [Pw_forum] DMFT+LDA   Dmitry Korotin
• [Pw_forum] DMFT+LDA   Dmitry Korotin
• [Pw_forum] interpretation of the file containing the real space force constants   Eric Landry
• [Pw_forum] interpretation of the file containing the real space force constants   Eric Landry
• [Pw_forum] interpretation of the file containing the real space force constants   Eric Landry
• [Pw_forum] Compiling QE 4.0.4   Amos Leffler
• [Pw_forum] Compilation of espresso-4.0.4   Amos Leffler
• [Pw_forum] Re[Psi] and Im[Psi]   Aritz Leonardo Liceranzu
• [Pw_forum] Re[Psi] and Im[Psi]   Aritz Leonardo Liceranzu
• [Pw_forum] Re[Psi] and Im[Psi]   Aritz Leonardo Liceranzu
• [Pw_forum] TBPW program of Prof. Richard Martin of UIUC   Nay Lin
• [Pw_forum] Error in ph.x calculation.   MATEUS JOSÉ FERNANDES MARTINS
• [Pw_forum] Fwd:   MATEUS JOSÉ FERNANDES MARTINS
• [Pw_forum] Problem with dynamical matrix file.   MATEUS JOSÉ FERNANDES MARTINS
• [Pw_forum] Problem with dynamical matrix file.   MATEUS JOSÉ FERNANDES MARTINS
• [Pw_forum] Problem with dynamical matrix file.   MATEUS JOSÉ FERNANDES MARTINS
• [Pw_forum] "charge is wrong" error   O. Baris Malcioglu
• [Pw_forum] Re[Psi] and Im[Psi]   O. Baris Malcioglu
• [Pw_forum] Problem with the Band Structure Calculation   O. Baris Malcioglu
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   O. Baris Malcioglu
• [Pw_forum] Compilation of espresso-4.0.4   O. Baris Malcioglu
• [Pw_forum] wrong record length   Marci
• [Pw_forum] wrong record length   Marci
• [Pw_forum] wrong record length   Marci
• [Pw_forum] surface calculations   Miguel Martínez
• [Pw_forum] finite temperature DFT   Nicola Marzari
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   Nicola Marzari
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   Nicola Marzari
• [Pw_forum] Can you help? (was "Fixed spin moment method & Phonon calculation")   Nicola Marzari
• [Pw_forum] contribute to the wiki !   Nicola Marzari
• [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system   Giuseppe Mattioli
• [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system   Giuseppe Mattioli
• [Pw_forum] Raman Intensity of mental   Giuseppe Mattioli
• [Pw_forum] ussp files   Giuseppe Mattioli
• [Pw_forum] surface calculations   Giuseppe Mattioli
• [Pw_forum] surface calculations   Giuseppe Mattioli
• [Pw_forum] strange bandstructure   Marcel Mohr
• [Pw_forum] utilization of different Ultrasoft pseudopotentials   Marcel Mohr
• [Pw_forum] Phonon branch enumeration   Jeffrey Mullen
• [Pw_forum] Phonon branch enumeration   Jeffrey Mullen
• [Pw_forum] Phonon branch enumeration   Jeffrey Mullen
• [Pw_forum] unit-printing error?   Karoly Nemeth
• [Pw_forum] unit-printing error?   Karoly Nemeth
• [Pw_forum] newbie - installation problem   Carlo Nervi
• [Pw_forum] newbie - installation problem   Carlo Nervi
• [Pw_forum] newbie - installation problem   Carlo Nervi
• [Pw_forum] newbie - installation problem   Carlo Nervi
• [Pw_forum] newbie update   Carlo Nervi
• [Pw_forum] newbie update   Carlo Nervi
• [Pw_forum] newbie update   Carlo Nervi
• [Pw_forum] mpi problems   Carlo Nervi
• [Pw_forum] newbie update   Carlo Nervi
• [Pw_forum] newbie update   Carlo Nervi
• [Pw_forum] compiling QE4.1   Carlo Nervi
• [Pw_forum] compiling QE4.1   Carlo Nervi
• [Pw_forum] Installation of PWgui   Carlo Nervi
• [Pw_forum] Installation of PWgui   Carlo Nervi
• [Pw_forum] phonon   Mansoureh Pashangpour
• [Pw_forum] phonon   Mansoureh Pashangpour
• [Pw_forum] LDA+U   Mansoureh Pashangpour
• [Pw_forum] PP for Planar average of all |psi|^2   sujata Paul
• [Pw_forum] PP for Planar average of all |psi|^2   Sujata Paul
• [Pw_forum] Error in ph.x calculation.   Lorenzo Paulatto
• [Pw_forum] newbie - installation problem   Lorenzo Paulatto
• [Pw_forum] newbie - installation problem   Lorenzo Paulatto
• [Pw_forum] The Number of iteraions   Lorenzo Paulatto
• [Pw_forum] newbie update   Lorenzo Paulatto
• [Pw_forum] Problem with the Band Structure Calculation   Lorenzo Paulatto
• [Pw_forum] The top of VB in total DOS differ from one in projection DOS   Lorenzo Paulatto
• [Pw_forum] Band structure   Lorenzo Paulatto
• [Pw_forum] dipole moment calculation   Lorenzo Paulatto
• [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat   Lorenzo Paulatto
• [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system   Lorenzo Paulatto
• [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system   Lorenzo Paulatto
• [Pw_forum] HUMO and LUMO   Lorenzo Paulatto
• [Pw_forum] internal position after relax   Lorenzo Paulatto
• [Pw_forum] HUMO and LUMO   Lorenzo Paulatto
• [Pw_forum] parallelization issues   Mahmoud Payami
• [Pw_forum] parallelization issues   Mahmoud Payami
• [Pw_forum] any good paper on "non-collinear" using PWSCF?   TuanAnh Pham
• [Pw_forum] band and dos input files in xcrysden   Eduardo Ariel Menendez Proupin
• [Pw_forum] new unit-cell volume in variable cell relaxation   Eduardo Ariel Menendez Proupin
• [Pw_forum] Can't run any example in QE v4.0.4   Abdulrafiu RAJI
• [Pw_forum] nimage is larger than the available number of images?   J. J. Ramsey
• [Pw_forum] Fw: nimage is larger than the available number of images?   J. J. Ramsey
• [Pw_forum] Spacing in band structure   Naol Regassa
• [Pw_forum] TBPW program of Prof. Richard Martin of UIUC   Nichols A. Romero
• [Pw_forum] USPP   S. K. S.
• [Pw_forum] DMFT+LDA   S. K. S.
• [Pw_forum] Error in User Guide - ibrav   Andre Saraiva
• [Pw_forum] newbie update   JR Schmidt
• [Pw_forum] newbie update   JR Schmidt
• [Pw_forum] Restart calculation of LSDA   Gabriele Sclauzero
• [Pw_forum] "charge is wrong" error   Gabriele Sclauzero
• [Pw_forum] strange bandstructure   Gabriele Sclauzero
• [Pw_forum] strange bandstructure   Gabriele Sclauzero
• [Pw_forum] DOS calculation for non collinear magnetic ordering   Gabriele Sclauzero
• [Pw_forum] Fw: nimage is larger than the available number of images?   Gabriele Sclauzero
• [Pw_forum] parallelization issues   Gabriele Sclauzero
• [Pw_forum] Problem with the Band Structure Calculation   Gabriele Sclauzero
• [Pw_forum] Problem with the Band Structure Calculation   Gabriele Sclauzero
• [Pw_forum] Character energy band.   Gabriele Sclauzero
• [Pw_forum] Problem with the Band Structure Calculation   Gabriele Sclauzero
• [Pw_forum] Character energy band.   Gabriele Sclauzero
• [Pw_forum] Problem with the Band Structure Calculation   Gabriele Sclauzero
• [Pw_forum] Xcrsyden   Gabriele Sclauzero
• [Pw_forum] question about electron phonon calculation   Gabriele Sclauzero
• [Pw_forum] question about electron phonon calculation   Gabriele Sclauzero
• [Pw_forum] fixed spin moment calculation   Gabriele Sclauzero
• [Pw_forum] fixed spin moment calculation   Gabriele Sclauzero
• [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat   Gabriele Sclauzero
• [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat   Gabriele Sclauzero
• [Pw_forum] fixed spin moment calculation   Gabriele Sclauzero
• [Pw_forum] xcrysden+cygwin can't display relax process   Gabriele Sclauzero
• [Pw_forum] US j -average not yet implemented   Gabriele Sclauzero
• [Pw_forum] pwcond calculations about the transmission in two seperated spin channels   Gabriele Sclauzero
• [Pw_forum] Raman Intensity of mental   Gabriele Sclauzero
• [Pw_forum] LDA+U   Gabriele Sclauzero
• [Pw_forum] any good paper on "non-collinear" using PWSCF?   Gabriele Sclauzero
• [Pw_forum] I can't print my bands   Gabriele Sclauzero
• [Pw_forum] I can't print my bands   Gabriele Sclauzero
• [Pw_forum] I can't print my bands   Gabriele Sclauzero
• [Pw_forum] I can't print my bands   Gabriele Sclauzero
• [Pw_forum] Spacing in band structure   Gabriele Sclauzero
• [Pw_forum] electrical polarization calculations for non-collinear magnetism   Gabriele Sclauzero
• [Pw_forum] Can't run any example in QE v4.0.4   Gabriele Sclauzero
• [Pw_forum] PP for Planar average of all |psi|^2   Gabriele Sclauzero
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   Ari Paavo Seitsonen
• [Pw_forum] cannot remap grid on k-point list   Ali Tavana
• [Pw_forum] Character energy band.   Li YL
• [Pw_forum] character band.   Li YL
• [Pw_forum] character band.   Li YL
• [Pw_forum] where is the instructions for dynmat.x   Yan
• [Pw_forum] where is the instructions for dynmat.x   Yan
• [Pw_forum] finite temperature DFT   Yan
• [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr   Yan
• [Pw_forum] Symmetry problem   Yan
• [Pw_forum] DOS calculation for non collinear magnetic ordering   Xun-Wang Yan
• [Pw_forum] DOS calculation for non collinear magnetic ordering   Xun-Wang Yan
• [Pw_forum] electrical polarization calculations for non-collinear magnetism   Xun-Wang Yan
• [Pw_forum] electrical polarization calculations for non-collinear magnetism   Xun-Wang Yan
• [Pw_forum] electrical polarization calculations for non-collinear magnetism   Xun-Wang Yan
• [Pw_forum] error about band calculation with pw.x   Lu Yunhao
• [Pw_forum] "charge is wrong" error   Aihua Zhang
• [Pw_forum] "charge is wrong" error   Aihua Zhang
• [Pw_forum] "charge is wrong" error   Aihua Zhang
• [Pw_forum] "charge is wrong" error   Aihua Zhang
• [Pw_forum] "charge is wrong" error   Aihua Zhang
• [Pw_forum] "charge is wrong" error   Aihua Zhang
• [Pw_forum] dipole moment calculation   Aihua Zhang
• [Pw_forum] dipole moment calculation   Aihua Zhang
• [Pw_forum] dipole moment calculation   Aihua Zhang
• [Pw_forum] "charge is wrong" error   Aihua Zhang
• [Pw_forum] dipole moment calculation   Aihua Zhang
• [Pw_forum] "charge is wrong" error   Aihua Zhang
• [Pw_forum] dipole moment calculation   Aihua Zhang
• [Pw_forum] Use of pool   Huiqun Zhou
• [Pw_forum] the dynmaical matrix are like "***********" when thephonons calculation at gama   Huiqun Zhou
• [Pw_forum] how to use fqha.x   Huiqun Zhou
• [Pw_forum] Use of pool   Huiqun Zhou
• [Pw_forum] question about electron phonon calculation   Huiqun Zhou
• [Pw_forum] DMFT+LDA   Huiqun Zhou
• [Pw_forum] DMFT+LDA   Huiqun Zhou
• [Pw_forum] question about electron phonon calculation   Xiang-Feng Zhou
• [Pw_forum] 6. Re: question about electron phonon calculation (hqzhou)   Xiang-Feng Zhou
• [Pw_forum] timing vs QE version vs pools   Marino Vetuschi Zuccolini
• [Pw_forum] help   cdm_mail
• [Pw_forum] about 'fnosep'   cdm_mail
• [Pw_forum] stress and mimimun of total energy   hanghui chen
• [Pw_forum] stress and electric field   hanghui chen
• [Pw_forum] stress in the Berry phase method   hanghui chen
• [Pw_forum] force and stress in the Berry phase method   hanghui chen
• [Pw_forum] dipole moment calculation   umari at democritos.it
• [Pw_forum] stress and electric field (paolo umari)   umari at democritos.it
• [Pw_forum] Defining an antiferromagnetic graphene nanoribbon   duchl06
• [Pw_forum] Fwd:   Asha gupta
• [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr   Asha gupta
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   lan haiping
• [Pw_forum] Problem with the Band Structure Calculation   lan haiping
• [Pw_forum] Problem with the Band Structure Calculation   lan haiping
• [Pw_forum] Problem with the Band Structure Calculation   lan haiping
• [Pw_forum] How to change velocities of specified ions ?   lan haiping
• [Pw_forum] A method on defining a based-centered monoclinic cell   lan haiping
• [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat   lan haiping
• [Pw_forum] phonon   lan haiping
• [Pw_forum] surface calculations   lan haiping
• [Pw_forum] Error:too many bands are not converged   lan haiping
• [Pw_forum] finite temperature DFT   lan haiping
• [Pw_forum] questions about the peseudopotential for potassium titanate   lan haiping
• [Pw_forum] DMFT+LDA   lan haiping
• [Pw_forum] A method on defining a based-centered monoclinic cell   liu hanyu
• [Pw_forum] A method on defining a based-centered monoclinic cell   liu hanyu
• [Pw_forum] question about electron phonon calculation   hqzhou
• [Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat   nazari at iasbs.ac.ir
• [Pw_forum] strange bandstructure   idoldog
• [Pw_forum] strange bandstructure   idoldog
• [Pw_forum] strange bandstructure   idoldog
• [Pw_forum] The top of VB in total DOS differ from one in projection DOS   idoldog
• [Pw_forum] The top of VB in total DOS differ from one inprojection DOS   idoldog
• [Pw_forum] Error:too many bands are not converged   idoldog
• [Pw_forum] Error:too many bands are not converged   idoldog
• [Pw_forum] Error:too many bands are not converged   idoldog
• [Pw_forum] Error:too many bands are not converged   idoldog
• [Pw_forum] Error in User Guide - ibrav   also at if.ufrj.br
• [Pw_forum] Error in User Guide - ibrav   also at if.ufrj.br
• [Pw_forum] utilization of different Ultrasoft pseudopotentials   saqib.javaid at ipcms.u-strasbg.fr
• [Pw_forum] Phonon branch enumeration   e kb
• [Pw_forum] fixed spin moment calculation   e kb
• [Pw_forum] ld1.x & US requires...   e kb
• [Pw_forum] US j -average not yet implemented   e kb
• [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system   pc229 at kent.ac.uk
• [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system   pc229 at kent.ac.uk
• [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system   pc229 at kent.ac.uk
• [Pw_forum] roblem with bfgs algorithm optimizer for spin polarized system   pc229 at kent.ac.uk
• [Pw_forum] I can't print my bands   pc229 at kent.ac.uk
• [Pw_forum] I can't print my bands   pc229 at kent.ac.uk
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   vega lew
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   vega lew
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   vega lew
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   vega lew
• [Pw_forum] converge problem in calculating the vacancy on TiO2 surfaces   vega lew
• [Pw_forum] The Number of iteraions   vega lew
• [Pw_forum] where is the instructions for dynmat.x   vega lew
• [Pw_forum] where is the instructions for dynmat.x   vega lew
• [Pw_forum] where is the instructions for dynmat.x   vega lew
• [Pw_forum] questions about the peseudopotential for potassium titanate   vega lew
• [Pw_forum] questions about the peseudopotential for potassium titanate   vega lew
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   vega lew
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   vega lew
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   vega lew
• [Pw_forum] Do you think Intel I7 series could improve the parallel efficiency   vega lew
• [Pw_forum] any good paper on "non-collinear" using PWSCF?   lfhuang
• [Pw_forum] any good paper on "non-collinear" using PWSCF?   lfhuang
• [Pw_forum] any good paper on "non-collinear" using PWSCF?   lfhuang
• [Pw_forum] any good paper on "non-collinear" using PWSCF?   lfhuang
• [Pw_forum] about the path length in NEB calculations   lfhuang
• [Pw_forum] a not reasonable initial path for NEB calculation   lfhuang
• [Pw_forum] a not reasonable initial path for NEB calculation   lfhuang
• [Pw_forum] a not reasonable initial path for NEB calculation   lfhuang
• [Pw_forum] about the logical parameter "use_masses" in IONS card   lfhuang
• [Pw_forum] (2) about the logical parameter "use_masses" in IONS card   lfhuang
• [Pw_forum] about the quantum tunneling of diffusing atoms   lfhuang
• [Pw_forum] about the quantum tunneling of diffusing atoms   lfhuang
• [Pw_forum] How to get the interatomic force constant tensor?   jin li
• [Pw_forum] PBE0 in PWSCF   xinzheng li
• [Pw_forum] how to use fqha.x   lidonglin556
• [Pw_forum] thermo.x   lidonglin556
• [Pw_forum] Raman Intensity of mental   liquan777
• [Pw_forum] Raman Intensity of mental   liquan777
• [Pw_forum] Raman Intensity of metal   liquan777
• [Pw_forum] I/O problem with qe 4.0.4   merlin meheut
• [Pw_forum] surface calculations   isaac motochi
• [Pw_forum] surface calculations   isaac motochi
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   mazouz moulay
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   mazouz moulay
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   mazouz moulay
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   mazouz moulay
• [Pw_forum] antiferromagnetism in ZB input file with 2 atoms   mazouz moulay
• [Pw_forum] Hi!I would like to cease the acception of Pwscf forum message   r95222066 at ntu.edu.tw
• [Pw_forum] fixed spin moment calculation   yumin qian
• [Pw_forum] fixed spin moment calculation   yumin qian
• [Pw_forum] fixed spin moment calculation   yumin qian
• [Pw_forum] fixed spin moment calculation   yumin qian
• [Pw_forum] fixed spin moment calculation   yumin qian
• [Pw_forum] fixed spin moment calculation   yumin qian
• [Pw_forum] HSE pseudopotentials   shangy
• [Pw_forum] HSE pseudopotentials   shangy
• [Pw_forum] HSE pseudopotentials   shangy
• [Pw_forum] HSE pseudopotentials + BNL functional   shangy
• [Pw_forum] US j -average not yet implemented   artee sharma
• [Pw_forum] US j -average not yet implemented   artee sharma
• [Pw_forum] US j -average not yet implemented   artee sharma
• [Pw_forum] ussp files   artee sharma
• [Pw_forum] ussp files   artee sharma
• [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr   artee sharma
• [Pw_forum] SCF correction compared to forces is too large, reduce conv_thr   artee sharma
• [Pw_forum] starting with espressso   piotrek at vega.umcs.lublin.pl
• [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers   snd2mra at yahoo.com
• [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers   snd2mra at yahoo.com
• [Pw_forum] separate the surface state and surface resonance state from the bulk state   yaoyugui
• [Pw_forum] surface calculations   yccheng.nju
• [Pw_forum] Compilation Error - Cygwin - PGI 8.0.4 Compilers   yccheng.nju
• [Pw_forum] Pw_forum Digest, Vol 21, Issue 81   ding yi
• [Pw_forum] A method on defining a based-centered monoclinic cell   yinwei_li
• [Pw_forum] A method on defining a based-centered monoclinic cell   yinwei_li
• [Pw_forum] A method on defining a based-centered monoclinic cell   yinwei_li
• [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama   xu yuehua
• [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama   xu yuehua
• [Pw_forum] the dynmaical matrix are like "***********" when the phonons calculation at gama   xu yuehua
• [Pw_forum] Symmetry problem   孙阳
• [Pw_forum] finite temperature DFT   戴佳钰
• [Pw_forum] finite temperature DFT   戴佳钰
• [Pw_forum] finite temperature DFT   戴佳钰
• [Pw_forum] Fwd:   潘登
• [Pw_forum] The Number of iteraions   潘登
• [Pw_forum] Problem with the Band Structure Calculation   潘登
• [Pw_forum] Problem with the Band Structure Calculation   潘登
• [Pw_forum] Problem with the Band Structure Calculation   潘登
• [Pw_forum] Problem with the Band Structure Calculation   潘登
• [Pw_forum] Problem with the Band Structure Calculation   潘登
• [Pw_forum] Problem with the Band Structure Calculation   潘登
• [Pw_forum] Band structure   潘登
• [Pw_forum] Band structure   潘登
• [Pw_forum] forrtl: severe (59)   潘登
• [Pw_forum] phonon   潘登
• [Pw_forum] phonon   潘登

Last message date: Tue Mar 31 14:57:11 CEST 2009
Archived on: Wed Feb 28 11:04:00 CET 2018

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