April 2010 Archives by author

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Starting: Thu Apr 1 02:47:12 CEST 2010
Ending: Fri Apr 30 19:52:02 CEST 2010
Messages: 309

• [Pw_forum] cannot open xml_recover file for writing   0930hanbin
• [Pw_forum] Band Structures Calculations   MAHASIN ALAM
• [Pw_forum] How to run jobs in PWScf?   MAHASIN ALAM
• [Pw_forum] Re2: Error of GWW in running head.x   Dal Corso Andrea
• [Pw_forum] phonon dispersion for graphene   Stefano Baroni
• [Pw_forum] Pw_forum Digest, Vol 34, Issue 5   Stefano Baroni
• [Pw_forum] Hessian of charge density   Stefano Baroni
• [Pw_forum] cp.x not existent or not executable   Stefano Baroni
• [Pw_forum] Hessian of the charge density   Stefano Baroni
• [Pw_forum] Phase Transition Pressures   Stefano Baroni
• [Pw_forum] Phase Transition Pressures   Stefano Baroni
• [Pw_forum] Phase Transition Pressures   Stefano Baroni
• [Pw_forum] intraband transitions in eps.x code   Stefano Baroni
• [Pw_forum] atomic mass for virtual atom   Stefano Baroni
• [Pw_forum] INPUT file for average.x   Stefano Baroni
• [Pw_forum] core-hole states in PPs of GIPAW-UPF files.   Matteo Calandra
• [Pw_forum] upf2plotcore.sh new version (Jiayu-Day)   Matteo Calandra
• [Pw_forum] x-ray spectra with "Fermi-Dirac" electronic (Jayu)   Matteo Calandra
• [Pw_forum] x-ray spectra with "Fermi-Dirac" electronic smearing., (Huolin Xin)   Matteo Calandra
• [Pw_forum] graphene workfunction   Giovanni Cantele
• [Pw_forum] HSE   Davide Ceresoli
• [Pw_forum] HSE   Davide Ceresoli
• [Pw_forum] Invitation to connect on LinkedIn   Weiguang Chen
• [Pw_forum] LDA+U in md calculations   Matteo Cococcioni
• [Pw_forum] LDA+U in md calculations   Matteo Cococcioni
• [Pw_forum] how to determine the value of U in a lda+U calculation   Matteo Cococcioni
• [Pw_forum] how to determine the value of U in a lda+U calculation   Matteo Cococcioni
• [Pw_forum] GWW+U   Matteo Cococcioni
• [Pw_forum] LDA+U in md calculations   Jiayu Dai
• [Pw_forum] LDA+U in md calculations   Jiayu Dai
• [Pw_forum] core-hole states in PPs of GIPAW-UPF files.   Jiayu Dai
• [Pw_forum] core-hole states in PPs of GIPAW-UPF files.   Jiayu Dai
• [Pw_forum] core-hole states in PPs of GIPAW-UPF files.   Jiayu Dai
• [Pw_forum] core-hole states in PPs of GIPAW-UPF files   Jiayu Dai
• [Pw_forum] upf2plotcore.sh new version   Jiayu Dai
• [Pw_forum] Invitation to connect on LinkedIn   Lu Deyu
• [Pw_forum] HSE   Anna Maria Ferrari
• [Pw_forum] disentangle.x   Andrea Ferretti
• [Pw_forum] About midpoint.x   Andrea Ferretti
• [Pw_forum] About wannier center   Andrea Ferretti
• [Pw_forum] disentangle.x   Andrea Ferretti
• [Pw_forum] generating pseudopotential for Ti   Maria Elena Fuentes
• [Pw_forum] passivation   Prasenjit Ghosh
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Paolo Giannozzi
• [Pw_forum] Error of GWW in running head.x   Paolo Giannozzi
• [Pw_forum] disentangle.x   Paolo Giannozzi
• [Pw_forum] HSE   Paolo Giannozzi
• [Pw_forum] cp.x not existent or not executable   Paolo Giannozzi
• [Pw_forum] Traceback not available error!   Paolo Giannozzi
• [Pw_forum] iflag=1, output_format=0   Paolo Giannozzi
• [Pw_forum] Band Structures Calculations   Paolo Giannozzi
• [Pw_forum] Plane waves parallelization   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 34, Issue 5   Paolo Giannozzi
• [Pw_forum] How to get unfilled orbitals from ld1.x?   Paolo Giannozzi
• [Pw_forum] Error while running nscf   Paolo Giannozzi
• [Pw_forum] bfgs : error # 1   Paolo Giannozzi
• [Pw_forum] generating pseudopotential for Ti   Paolo Giannozzi
• [Pw_forum] flow-chart in PWSCF   Paolo Giannozzi
• [Pw_forum] Copper pseudopotential   Paolo Giannozzi
• [Pw_forum] negative phonon frequency in GaN bulk   Paolo Giannozzi
• [Pw_forum] regarding bulk modulus   Paolo Giannozzi
• [Pw_forum] scf not converging (was: how to specify initial ion velocities in pw.x)   Paolo Giannozzi
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Paolo Giannozzi
• [Pw_forum] How to get unfilled orbitals from ld1.x?   Paolo Giannozzi
• [Pw_forum] Fortran runtime error   Paolo Giannozzi
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Paolo Giannozzi
• [Pw_forum] How to calculate DOS by Hybrid functionals.   Paolo Giannozzi
• [Pw_forum] Alignment Procedure of Energy level in Different Systems   Paolo Giannozzi
• [Pw_forum] pw.x: command not found   Paolo Giannozzi
• [Pw_forum] phonon dispersion   Paolo Giannozzi
• [Pw_forum] passivation   Paolo Giannozzi
• [Pw_forum] (Slightly) different energies based on ordering of atomic positions   Paolo Giannozzi
• [Pw_forum] (Slightly) different energies based on ordering of atomic positions   Paolo Giannozzi
• [Pw_forum] phonon calculation for optimized geometry -one subtle confusion   Paolo Giannozzi
• [Pw_forum] question about projwfc.x   Paolo Giannozzi
• [Pw_forum] (Slightly) different energies based on ordering of atomic positions   Paolo Giannozzi
• [Pw_forum] RRKJ pseudopotentials and raman calculations   Paolo Giannozzi
• [Pw_forum] RRKJ pseudopotentials and raman calculations   Paolo Giannozzi
• [Pw_forum] RRKJ pseudopotentials and raman calculations   Paolo Giannozzi
• [Pw_forum] pw2casino for Gamma point molecular calculation   Paolo Giannozzi
• [Pw_forum] bands calculation   Paolo Giannozzi
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] MoS2 - reproducing papers   Paolo Giannozzi
• [Pw_forum] the code for pwscf to castep   Paolo Giannozzi
• [Pw_forum] A problem in installation (nested function ‘getchar’ declared ‘extern’)   Paolo Giannozzi
• [Pw_forum] band calculation   Paolo Giannozzi
• [Pw_forum] Hg pseudopotential   Paolo Giannozzi
• [Pw_forum] A Question About Time   Paolo Giannozzi
• [Pw_forum] What's scattering geometry in Raman intensity?   Paolo Giannozzi
• [Pw_forum] parallel version error in quad core Xeon   Paolo Giannozzi
• [Pw_forum] What's scattering geometry in Raman intensity?   Paolo Giannozzi
• [Pw_forum] xc functional, again..   Paolo Giannozzi
• [Pw_forum] A Question About Time   Paolo Giannozzi
• [Pw_forum] cannot open xml_recover file for writing   Paolo Giannozzi
• [Pw_forum] Hg pseudopotential   Gianluca Giovannetti
• [Pw_forum] starting_magnetization and magnetization optimization in pwscf   Stefano de Gironcoli
• [Pw_forum] could pwscf do a Geometry Optimization calculation in LDA+U Scheme   Stefano de Gironcoli
• [Pw_forum] error message in pw.x running   Stefano de Gironcoli
• [Pw_forum] a brief and (maybe) stupid question   Stefano de Gironcoli
• [Pw_forum] how to plot phonon phonon modes after calculation   Sanjeev Kumar Gupta
• [Pw_forum] pseudopotential for Ce and Pr   Sanjeev Kumar Gupta
• [Pw_forum] question about projwfc.x   Parwana HABIBI
• [Pw_forum] question about projwfc.x   Parwana HABIBI
• [Pw_forum] Plane waves parallelization   Hanyu
• [Pw_forum] ph.x taking a lot of time to run!   Hanyu
• [Pw_forum] Copper pseudopotential   Hanyu
• [Pw_forum] phonon calculation for optimized geometry   Hanyu
• [Pw_forum] Several questions about the xspectra code in QE   Zhufeng Hou
• [Pw_forum] LDA+U in md calculations   Han Hsu
• [Pw_forum] bfgs : error # 1   Han Hsu
• [Pw_forum] bfgs : error # 1   Han Hsu
• [Pw_forum] Invitation to connect on LinkedIn   Fedai Inanir
• [Pw_forum] how to plot phonon phonon modes after calculation   Eyvaz Isaev
• [Pw_forum] iflag=1, output_format=0   Chad Junkermeier
• [Pw_forum] graphene workfunction   Chad Junkermeier
• [Pw_forum] graphene workfunction   Chad Junkermeier
• [Pw_forum] regarding bulk modulus   Shyam Khambholja
• [Pw_forum] different XC functionals   Emine Kucukbenli
• [Pw_forum] different XC functionals   Emine Kucukbenli
• [Pw_forum] atomic mass for virtual atom   Emine Kucukbenli
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Ashutosh Kumar
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Ashutosh Kumar
• [Pw_forum] Fortran runtime error   TAE BUM LEE
• [Pw_forum] parallel version error in quad core Xeon   TAE BUM LEE
• [Pw_forum] parallel version error in quad core Xeon   TAE BUM LEE
• [Pw_forum] band calculation   Duy Le
• [Pw_forum] Copper pseudopotential   Nay Lin
• [Pw_forum] the potential of core electron   Giuseppe Mattioli
• [Pw_forum] the potential of core electron   Giuseppe Mattioli
• [Pw_forum] the potential of core electron   Giuseppe Mattioli
• [Pw_forum] RRKJ pseudopotentials and raman calculations   Merlin Meheut
• [Pw_forum] RRKJ pseudopotentials and raman calculations   Merlin Meheut
• [Pw_forum] RRKJ pseudopotentials and raman calculations   Merlin Meheut
• [Pw_forum] (Slightly) different energies based on ordering of atomic positions   Mike Mehl
• [Pw_forum] (Slightly) different energies based on ordering of atomic positions   Mike Mehl
• [Pw_forum] ph.x taking a lot of time to run!   Elie Moujaes
• [Pw_forum] ph.x taking a lot of time to run!   Elie Moujaes
• [Pw_forum] Traceback not available error!   Elie Moujaes
• [Pw_forum] Traceback not available error!   Elie Moujaes
• [Pw_forum] pw.x: command not found   Elie Moujaes
• [Pw_forum] HSE   Carlo Nervi
• [Pw_forum] a brief and (maybe) stupid question   Carlo Nervi
• [Pw_forum] Band Structures Calculations   Ngoc Linh Nguyen
• [Pw_forum] how to plot phonon phonon modes after calculation   Ngoc Linh Nguyen
• [Pw_forum] Constraint on centre of mass of a molecule   Ngoc Linh Nguyen
• [Pw_forum] Constraint on centre of mass of a molecule   Ngoc Linh Nguyen
• [Pw_forum] graphene workfunction   Ngoc Linh Nguyen
• [Pw_forum] graphene workfunction   Ngoc Linh Nguyen
• [Pw_forum] How to calculate DOS by Hybrid functionals.   Ngoc Linh Nguyen
• [Pw_forum] Alignment Procedure of Energy level in Different Systems   Ngoc Linh Nguyen
• [Pw_forum] passivation   Ngoc Linh Nguyen
• [Pw_forum] How can i use my processors?   Ngoc Linh Nguyen
• [Pw_forum] phonon calculation for optimized geometry -one subtle confusion   Ngoc Linh Nguyen
• [Pw_forum] How to run jobs in PWScf?   Ngoc Linh Nguyen
• [Pw_forum] bands calculation   Ngoc Linh Nguyen
• [Pw_forum] relax not converge   Ngoc Linh Nguyen
• [Pw_forum] MoS2 - reproducing papers   Ngoc Linh Nguyen
• [Pw_forum] MoS2 - reproducing papers   Ngoc Linh Nguyen
• [Pw_forum] question about projwfc.x   NgocLinh Nguyen
• [Pw_forum] Error message   Payam Norouzzadeh
• [Pw_forum] recovering interrupted jobs   Payam Norouzzadeh
• [Pw_forum] different XC functionals   Payam Norouzzadeh
• [Pw_forum] atomic mass for virtual atom   Payam Norouzzadeh
• [Pw_forum] HSE   William Parker
• [Pw_forum] HSE   William Parker
• [Pw_forum] Error while running nscf   Padmaja Patnaik
• [Pw_forum] Constraint on centre of mass of a molecule   Lorenzo Paulatto
• [Pw_forum] Constraint on centre of mass of a molecule   Lorenzo Paulatto
• [Pw_forum] "epsil" for GaN and ZnO (0001) surface   Lorenzo Paulatto
• [Pw_forum] A question about MPICH   Lorenzo Paulatto
• [Pw_forum] A question about MPICH   Lorenzo Paulatto
• [Pw_forum] A question about MPICH   Lorenzo Paulatto
• [Pw_forum] MoS2 - reproducing papers   Lorenzo Paulatto
• [Pw_forum] atomic mass for virtual atom   Lorenzo Paulatto
• [Pw_forum] PAW pseudopotential   Lorenzo Paulatto
• [Pw_forum] PAW for Ti and O   Lorenzo Paulatto
• [Pw_forum] magnetization   Lorenzo Paulatto
• [Pw_forum] PAW pseudopotential   Lorenzo Paulatto
• [Pw_forum] generating pseudopotential for Ti   Eduardo Ariel Menendez Proupin
• [Pw_forum] projector for local channel in ultrasoft pseudopotential   Eduardo Ariel Menendez Proupin
• [Pw_forum] relax not converge   Q.J.Wang
• [Pw_forum] flow-chart in PWSCF   Nichols A. Romero
• [Pw_forum] flow-chart in PWSCF   S. K. S.
• [Pw_forum] About the mean square displacement in CP output   Bertrand SITAMTZE
• [Pw_forum] About the mean square displacement in CP output   Bertrand SITAMTZE
• [Pw_forum] About the mean square displacement in CP output   Bertrand SITAMTZE
• [Pw_forum] how to specify initial ion velocities in pw.x   German Samolyuk
• [Pw_forum] About the mean square displacement in CP output   Sandro Scandolo
• [Pw_forum] Alignment Procedure of Energy level in Different Systems   Gabriele Sclauzero
• [Pw_forum] graphene workfunction   Gabriele Sclauzero
• [Pw_forum] Computer Server Configurations   Gabriele Sclauzero
• [Pw_forum] projector for local channel in ultrasoft pseudopotential   Gabriele Sclauzero
• [Pw_forum] magnesium diboride   Gabriele Sclauzero
• [Pw_forum] question about projwfc.x   Gabriele Sclauzero
• [Pw_forum] question about projwfc.x   Gabriele Sclauzero
• [Pw_forum] question about projwfc.x   Gabriele Sclauzero
• [Pw_forum] question about projwfc.x   Gabriele Sclauzero
• [Pw_forum] bands calculation   Gabriele Sclauzero
• [Pw_forum] isosurface of wave functions   Gabriele Sclauzero
• [Pw_forum] INPUT file for average.x   Gabriele Sclauzero
• [Pw_forum] recovering interrupted jobs   Gabriele Sclauzero
• [Pw_forum] GWW+U   Gabriele Sclauzero
• [Pw_forum] breaking grid of q-points and merging resulted files   Gabriele Sclauzero
• [Pw_forum] intraband transitions in eps.x code   Olga Sedelnikova
• [Pw_forum] recovering interrupted jobs   Sheena Shah
• [Pw_forum] Plane waves parallelization   Dimpy Sharma
• [Pw_forum] INPUT file for average.x   Nicholas E. Singh-Miller
• [Pw_forum] About the mean square displacement in CP output   Antonio Tilocca
• [Pw_forum] MoS2 - reproducing papers   Vit
• [Pw_forum] MoS2 - reproducing papers   Vit
• [Pw_forum] MoS2 - reproducing papers   Vit
• [Pw_forum] MoS2 - reproducing papers   Vit
• [Pw_forum] MoS2 - reproducing papers   Vit
• [Pw_forum] RRKJ pseudopotentials and raman calculations   Eric J. Walter
• [Pw_forum] RRKJ pseudopotentials and raman calculations   Eric J. Walter
• [Pw_forum] Computer Server Configurations   Izaak Williamson
• [Pw_forum] How to get unfilled orbitals from ld1.x?   Huolin Xin
• [Pw_forum] How to get unfilled orbitals from ld1.x?   Huolin Xin
• [Pw_forum] Phase Transition Pressures   Huolin Xin
• [Pw_forum] Phase Transition Pressures   Huolin Xin
• [Pw_forum] x-ray spectra with "Fermi-Dirac" electronic smearing.   Huolin Xin
• [Pw_forum] the code for pwscf to castep   Wei Zhou
• [Pw_forum] passivation   peyman amiri
• [Pw_forum] (no subject)   peyman amiri
• [Pw_forum] parallel version error in quad core Xeon   archygu
• [Pw_forum] About kpoint   archygu
• [Pw_forum] bands calculation   udayagiri sai babu
• [Pw_forum] bands calculation   udayagiri sai babu
• [Pw_forum] magnetization   hanghui chen
• [Pw_forum] starting_magnetization and magnetization optimization in pwscf   jia chen
• [Pw_forum] Pw_forum Digest, Vol 34, Issue 5   jia chen
• [Pw_forum] GW code with Ultra-soft pseudo potential   marsamos at democritos.it
• [Pw_forum] workshop announcement   marsamos at democritos.it
• [Pw_forum] Fwd: new sax release   marsamos at democritos.it
• [Pw_forum] xc functional, again..   marsamos at democritos.it
• [Pw_forum] xc functional, again..   marsamos at democritos.it
• [Pw_forum] how to determine the value of U in a lda+U calculation   duchl06
• [Pw_forum] how to determine the value of U in a lda+U calculation   duchl06
• [Pw_forum] how to determine the value of U in a lda+U calculation   duchl06
• [Pw_forum] could pwscf do a Geometry Optimization calculation in LDA+U Scheme   duchl06
• [Pw_forum] GW code with Ultra-soft pseudo potential   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Re2: Error of GWW in running head.x   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] cp.x not existent or not executable   kada galami
• [Pw_forum] cp.x not existent or not executable   kada galami
• [Pw_forum] Copper pseudopotential   elbuesta at icqmail.com
• [Pw_forum] Alignment Procedure of Energy level in Different Systems   idoldog
• [Pw_forum] x-ray spectra with "Fermi-Dirac" electronic smearing   jydai
• [Pw_forum] Hessian of charge density   shekoufe khosravi
• [Pw_forum] Hessian of the charge density   shekoufe khosravi
• [Pw_forum] Constraint on centre of mass of a molecule   siva rama krishna
• [Pw_forum] phonon dispersion for graphene   lfhuang
• [Pw_forum] ph.x taking a lot of time to run!   lfhuang
• [Pw_forum] How can i use my processors?   mohsen modaresi
• [Pw_forum] A question about MPICH   mohsen modaresi
• [Pw_forum] A question about MPICH   mohsen modaresi
• [Pw_forum] A question about MPICH   mohsen modaresi
• [Pw_forum] MoS2 - reproducing papers   mohsen modaresi
• [Pw_forum] MoS2 - reproducing papers   mohsen modaresi
• [Pw_forum] A problem in installation (nested function ‘getchar’ declared ‘extern’)   mohsen modaresi
• [Pw_forum] A problem in installation (nested function ‘getchar’ declared ‘extern’)   mohsen modaresi
• [Pw_forum] A Question About Time   mohsen modaresi
• [Pw_forum] A Question About Time   mohsen modaresi
• [Pw_forum] Phase Transition Pressures   naphtaly moro
• [Pw_forum] how to plot phonon phonon modes after calculation   mohnish pandey
• [Pw_forum] how to plot phonon phonon modes after calculation   mohnish pandey
• [Pw_forum] negative phonon frequency in GaN bulk   mohnish pandey
• [Pw_forum] "epsil" for GaN and ZnO (0001) surface   mohnish pandey
• [Pw_forum] phonon calculation of optimized structure   mohnish pandey
• [Pw_forum] phonon calculation for optimized geometry   mohnish pandey
• [Pw_forum] phonon calculation for optimized geometry -one subtle confusion   mohnish pandey
• [Pw_forum] phonon calculation for optimized geometry -one subtle confusion   mohnish pandey
• [Pw_forum] recovering interrupted jobs   mohnish pandey
• [Pw_forum] Wyckoff sites   mohnish pandey
• [Pw_forum] error message in pw.x running   patriot pershing
• [Pw_forum] GWW+U   kazempoor at ph.iut.ac.ir
• [Pw_forum] GWW+U   kazempoor at ph.iut.ac.ir
• [Pw_forum] PAW pseudopotential   kazempoor at ph.iut.ac.ir
• [Pw_forum] PAW for Ti and O   kazempoor at ph.iut.ac.ir
• [Pw_forum] PAW pseudopotential   kazempoor at ph.iut.ac.ir
• [Pw_forum] convergence   kazempoor at ph.iut.ac.ir
• [Pw_forum] breaking grid of q-points and merging resulted files   bahareh rahmani
• [Pw_forum] Wyckoff sites   bahareh rahmani
• [Pw_forum] INPUT file for average.x   wulilixiangguo at sina.com
• [Pw_forum] xc functional, again..   iori at theory.polytechnique.fr
• [Pw_forum] xc functional, again..   iori at theory.polytechnique.fr
• [Pw_forum] isosurface of wave functions   raheleh vaziri
• [Pw_forum] disentangle.x   shudong wang
• [Pw_forum] About midpoint.x   shudong wang
• [Pw_forum] About wannier center   shudong wang
• [Pw_forum] disentangle.x   shudong wang
• [Pw_forum] phonon dispersion   shudong wang
• [Pw_forum] band calculation   shudong wang
• [Pw_forum] About kpoint   shudong wang
• [Pw_forum] Cadmium psudo potential   wujianchun
• [Pw_forum] How to calculate DOS by Hybrid functionals.   wujianchun
• [Pw_forum] How to calculate DOS by Hybrid functionals.   wujianchun
• [Pw_forum] How to calculate DOS by Hybrid functionals.   wujianchun
• [Pw_forum] core level   wujianchun
• [Pw_forum] the potential of core electron   wujianchun
• [Pw_forum] the potential of core electron   wujianchun
• [Pw_forum] the potential of core electron   wujianchun
• [Pw_forum] the potential of core electron   wujianchun
• [Pw_forum] the potential of core electron   wujianchun
• [Pw_forum] What's scattering geometry in Raman intensity?   xirainbow
• [Pw_forum] What's scattering geometry in Raman intensity?   xirainbow
• [Pw_forum] x-ray spectra with "Fermi-Dirac" electronic smearing.   戴佳钰
• [Pw_forum] Alignment Procedure of Energy level in Different Systems   李飞
• [Pw_forum] pw2casino for Gamma point molecular calculation   前園 涼
• [Pw_forum] pw2casino for Gamma point molecular calculation (Ryo Maezono)   前園 涼

Last message date: Fri Apr 30 19:52:02 CEST 2010
Archived on: Fri Apr 30 19:58:11 CEST 2010

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