July 2010 Archives by subject

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Starting: Thu Jul 1 00:03:37 CEST 2010
Ending: Sat Jul 31 11:20:31 CEST 2010
Messages: 278

[Pw_forum] (no subject) Wang Di
[Pw_forum] About GWW shudong wang
[Pw_forum] about the variable-cell MD Artem R. Khabibullin
[Pw_forum] about U value determination in DFT+U calculation jia chen
[Pw_forum] about U value determination in DFT+U calculation Gabriele Sclauzero
[Pw_forum] about U value determination in DFT+U calculation jia chen
[Pw_forum] about U value determination in DFT+U calculation Gabriele Sclauzero
[Pw_forum] about U value determination in DFT+U calculation Gabriele Sclauzero
[Pw_forum] about U value determination in DFT+U calculation jia chen
[Pw_forum] about U value determination in DFT+U calculation Gabriele Sclauzero
[Pw_forum] Acknowledgment to this forum vega lew
[Pw_forum] Acknowledgment to this forum Stefano Baroni
[Pw_forum] Acknowledgment to this forum vega lew
[Pw_forum] afsaneh daemi wants to chat afsaneh daemi
[Pw_forum] anybody know how to calculate the properties of a unit in melting or in solution? Wang Di
[Pw_forum] band structure of graphene-size effect of unit cell loc duong ding
[Pw_forum] band structure of graphene-size effect of unit cell xirainbow
[Pw_forum] band structure of graphene-size effect of unit cell Gabriele Sclauzero
[Pw_forum] band structure of graphene-size effect of unit cell mohsen modaresi
[Pw_forum] c_bands: 4 eigenvalues not converged Masoud Nahali
[Pw_forum] c_bands: 4 eigenvalues not converged Paolo Giannozzi
[Pw_forum] c_bands: 4 eigenvalues not converged Paolo Giannozzi
[Pw_forum] c_bands: 4 eigenvalues not converged Masoud Nahali
[Pw_forum] c_bands: eigenvalues not converged ina bilayer graphene calculations with an electric field Elie Moujaes
[Pw_forum] c_bands: eigenvalues not converged ina bilayer graphene calculations with an electric field Eyvaz Isaev
[Pw_forum] c_bands: eigenvalues not converged ina bilayer graphene calculations with an electric field Paolo Giannozzi
[Pw_forum] c_bands: eigenvalues not converged ina bilayer graphene calculations with an electric field Elie Moujaes
[Pw_forum] Calculation Crashes by running at different processors fort he same system. Dimpy Sharma
[Pw_forum] Calculation Crashes by running at different processors fort he same system. Paolo Giannozzi
[Pw_forum] calculation for antiferromagnetic MnO mohnish pandey
[Pw_forum] calculation for antiferromagnetic MnO Matteo Cococcioni
[Pw_forum] calculation for antiferromagnetic MnO mohnish pandey
[Pw_forum] Cannot reproduce standard CO/Au(111) Janesko, Benjamin
[Pw_forum] Cannot reproduce standard CO/Au(111) Paolo Giannozzi
[Pw_forum] Cannot reproduce standard CO/Au(111) adsorption energy Janesko, Benjamin
[Pw_forum] Cannot reproduce standard CO/Au(111) adsorption energy Duy Le
[Pw_forum] constraints: planar and torsion angles Norbert Nemec
[Pw_forum] constraints: planar and torsion angles Paolo Giannozzi
[Pw_forum] constraints: planar and torsion angles Stefano Baroni
[Pw_forum] DFPT+U kazempoor at ph.iut.ac.ir
[Pw_forum] DFPT+U Paolo Giannozzi
[Pw_forum] DFPT+U Andrea Floris
[Pw_forum] DFPT+U S. K. S.
[Pw_forum] different k point in scf and nscf Amene Nouri
[Pw_forum] different k point in scf and nscf xirainbow
[Pw_forum] different k point in scf and nscf Amene Nouri
[Pw_forum] different k point in scf and nscf xirainbow
[Pw_forum] different k point in scf and nscf Stefano Baroni
[Pw_forum] Distributing phonon calculations to different machines Huiqun Zhou
[Pw_forum] Distributing phonon calculations to different machines Huiqun Zhou
[Pw_forum] Distributing phonon calculations to different machines Dal Corso Andrea
[Pw_forum] Distributing phonon calculations todifferent machines Huiqun Zhou
[Pw_forum] Distributing phonon calculations todifferent machines Dal Corso Andrea
[Pw_forum] Distributing phonon calculations todifferent machines Huiqun Zhou
[Pw_forum] Distributing phonon calculations todifferent machines Dal Corso Andrea
[Pw_forum] Distributing phonon calculations todifferent machines Huiqun Zhou
[Pw_forum] Doubt in DOS and PDOS Padmaja Patnaik
[Pw_forum] Doubt in DOS and PDOS Stefano de Gironcoli
[Pw_forum] electron-phonon coupling and pseudopotential choice Eyvaz Isaev
[Pw_forum] error in running examples Padmaja Patnaik
[Pw_forum] error in running examples Eyvaz Isaev
[Pw_forum] EXX error Amene Nouri
[Pw_forum] EXX error marsamos at democritos.it
[Pw_forum] EXX error Amene Nouri
[Pw_forum] EXX error giannozz at democritos.it
[Pw_forum] Fourier interpolation HaoPan
[Pw_forum] Fourier interpolation Stefano Baroni
[Pw_forum] Fourier interpolation giannozz at democritos.it
[Pw_forum] Fourier interpolation HaoPan
[Pw_forum] Fourier interpolation HaoPan
[Pw_forum] Fourier interpolation Eyvaz Isaev
[Pw_forum] Fourier interpolation sonu kumar
[Pw_forum] Fourier interpolation Eyvaz Isaev
[Pw_forum] Full relativistic pseudopotential for Fe (Iron) Juan Manuel Lopez
[Pw_forum] Full relativistic pseudopotential for Fe (Iron) Juan Manuel Lopez
[Pw_forum] Fwd: Two-electric fields method for Raman spectroscopy Luz Padro
[Pw_forum] GGA+U S. K. S.
[Pw_forum] GGA+U Gabriele Sclauzero
[Pw_forum] GGA+U Gabriele Sclauzero
[Pw_forum] GGA+U Gabriele Sclauzero
[Pw_forum] GGA+U Giuseppe Mattioli
[Pw_forum] GGA+U Matteo Cococcioni
[Pw_forum] GGA+U Paolo Giannozzi
[Pw_forum] GGA+U S. K. S.
[Pw_forum] GGA+U Matteo Cococcioni
[Pw_forum] GGA+U Matteo Cococcioni
[Pw_forum] graphite surface optimizing problem Masoud Nahali
[Pw_forum] GW Q.J.Wang
[Pw_forum] GW Stefano Baroni
[Pw_forum] GW for large systems Gianluca Giovannetti
[Pw_forum] GW for large systems marsamos at democritos.it
[Pw_forum] GW tutorial hanghui chen
[Pw_forum] GW tutorial Paolo Giannozzi
[Pw_forum] GWW of bulk silicon shudong wang
[Pw_forum] GWW with occupied states only ali kazempour
[Pw_forum] GWW with occupied states only Stefano Baroni
[Pw_forum] Hand's on Workshop annoucement: nanoexcite2010 marsamos at democritos.it
[Pw_forum] Hardware configuration for QE Vit
[Pw_forum] how can I plot phonon dispersion and the a2F(omega) vs. omega function curve? wangwei
[Pw_forum] how can I plot phonon dispersion and the a2F(omega) vs. omega function curve? Haruhiko Dekura
[Pw_forum] how can I plot phonon dispersion and the a2F(omega) vs. omega function curve? Haruhiko Dekura
[Pw_forum] how can I plot phonon dispersion and the a2F(omega) vs. omega function curve? Eyvaz Isaev
[Pw_forum] how does the quantum espresso scale with increasing the number of nodes. vicky singh
[Pw_forum] how does the quantum espresso scale with increasing the number of nodes. vicky singh
[Pw_forum] how does the quantum espresso scale with increasing the number of nodes. Paolo Giannozzi
[Pw_forum] how does the quantum espresso scale with increasing the number of nodes. vicky singh
[Pw_forum] how does the quantum espresso scale with increasingthe number of nodes. Huiqun Zhou
[Pw_forum] how does the quantum espresso scale with increasing the number of nodes. Gabriele Sclauzero
[Pw_forum] How to compute polarization in the (111) direction? Lim Chiang Huay, Freda
[Pw_forum] How to compute polarization in the (111) direction? Gabriele Sclauzero
[Pw_forum] How to control the convergence of hybrid functional calculations Giuseppe Mattioli
[Pw_forum] How to control the convergence of hybrid functional calculations Wei-Bing Zhang
[Pw_forum] How to control the convergence of hybrid functional calculations Wei-Bing Zhang
[Pw_forum] How to control the convergence of hybrid functional calculations Paolo Giannozzi
[Pw_forum] How to control the convergence of hybrid functional calculations Wei-Bing Zhang
[Pw_forum] How to find the charge density corresponding to AE and Pseudo states in atomic code? sonu kumar
[Pw_forum] How to integrate a particular PDOS column nand
[Pw_forum] How to integrate a particular PDOS column Haruhiko Dekura
[Pw_forum] How to integrate a particular PDOS column Haruhiko Dekura
[Pw_forum] How to integrate a particular PDOS column Gabriele Sclauzero
[Pw_forum] How to integrate a particular PDOS column Haruhiko Dekura
[Pw_forum] How to integrate a particular PDOS column nand
[Pw_forum] How to set nbnd value for berry phase calculations? Lim Chiang Huay, Freda
[Pw_forum] How to set nbnd value for berry phase calculations? Paolo Giannozzi
[Pw_forum] How to set nbnd value for berry phase calculations? Gabriele Sclauzero
[Pw_forum] Hubbard U in the version 4.2 hanghui chen
[Pw_forum] Hubbard U in the version 4.2 Gabriele Sclauzero
[Pw_forum] Hubbard U in the version 4.2 Paolo Giannozzi
[Pw_forum] Hubbard U in the version 4.2 Gabriele Sclauzero
[Pw_forum] Initial velocities for MD run? Norbert Nemec
[Pw_forum] Initial velocities for MD run? Paolo Giannozzi
[Pw_forum] Initial velocities for MD run? pastore at democritos.it
[Pw_forum] Initial velocities for MD run? Paolo Giannozzi
[Pw_forum] Initial velocities for MD run? Norbert Nemec
[Pw_forum] Initial velocities for MD run? German Samolyuk
[Pw_forum] Initial velocities for MD run? (Norbert Nemec) jiayudai
[Pw_forum] Initial velocities for MD run? (Norbert Nemec) Davide Ceresoli
[Pw_forum] Initial velocities for MD run? (Norbert Nemec) Norbert Nemec
[Pw_forum] input for d3.x Martin Andersson
[Pw_forum] input for d3.x giannozz at democritos.it
[Pw_forum] input for d3.x Stefano Baroni
[Pw_forum] Intel Compiler version needed in compiling qe 4.2 Huiqun Zhou
[Pw_forum] Intel Compiler version needed in compiling qe 4.2 Gabriele Sclauzero
[Pw_forum] Intel Compiler version needed in compiling qe 4.2 Huiqun Zhou
[Pw_forum] Intel Compiler version needed in compiling qe 4.2 Paolo Giannozzi
[Pw_forum] Intel Compiler version needed in compiling qe 4.2 Huiqun Zhou
[Pw_forum] Invitation to connect on LinkedIn Timothy Teatro via LinkedIn
[Pw_forum] Is restart of phonon calculations reliable? sonu kumar
[Pw_forum] Is restart of phonon calculations reliable? Bipul Rakshit
[Pw_forum] Is the Graphite surface flat ? Giuseppe Mattioli
[Pw_forum] Is the Graphite surface flat ? Masoud Nahali
[Pw_forum] Is the Graphite surface flat ? Nicola Marzari
[Pw_forum] Is the Graphite surface flate? Masoud Nahali
[Pw_forum] Is the Graphite surface flate? Giuseppe Mattioli
[Pw_forum] Is the Graphite surface flate? Gabriele Sclauzero
[Pw_forum] Is the Graphite surface flate? Dal Corso Andrea
[Pw_forum] Is there a tutorial for generating a PAW pseudopotential Haowei Peng
[Pw_forum] Is there a tutorial for generating a PAW pseudopotential giannozz at democritos.it
[Pw_forum] LDA+U character ali kazempour
[Pw_forum] LDA+U character Matteo Cococcioni
[Pw_forum] LDA+U character ali kazempour
[Pw_forum] LDA+U character Matteo Cococcioni
[Pw_forum] Me gustaría seguir en contacto contigo en Facebook Lucas Fernández Seivane
[Pw_forum] My Research bayo mus
[Pw_forum] My Research Eyvaz Isaev
[Pw_forum] Nanoscale Device Modeling Research Positions Rajan Pandey
[Pw_forum] Negative pressure during vc-relax Elie Moujaes
[Pw_forum] Negative pressure during vc-relax Paolo Giannozzi
[Pw_forum] Negative pressure during vc-relax Paolo Giannozzi
[Pw_forum] Negative pressure during vc-relax Elie Moujaes
[Pw_forum] Ni.pbe-sp-mt_gipaw.UPF Merlin Meheut
[Pw_forum] Ni.pbe-sp-mt_gipaw.UPF Ari P Seitsonen
[Pw_forum] Ni.pbe-sp-mt_gipaw.UPF: one pseudopotential for two oxidation states? Merlin Meheut
[Pw_forum] Ni.pbe-sp-mt_gipaw.UPF: one pseudopotential for two oxidation states? giannozz at democritos.it
[Pw_forum] occupancies of atomic orbitals Gianluca Giovannetti
[Pw_forum] occupancies of atomic orbitals Matteo Cococcioni
[Pw_forum] optimizing cell parameters and choosing k-points of graphite Masoud Nahali
[Pw_forum] PAW S. K. S.
[Pw_forum] PAW Stefano de Gironcoli
[Pw_forum] PAW S. K. S.
[Pw_forum] PAW Stefano de Gironcoli
[Pw_forum] PAW Paolo Giannozzi
[Pw_forum] ph.x faiedlbecause of the diagonalization HaoPan
[Pw_forum] phonon calculations HaoPan
[Pw_forum] plumed for ESPRESSO-4.2 available marsamos at democritos.it
[Pw_forum] plumed for ESPRESSO-4.2 available Zhong-Li Liu
[Pw_forum] plumed for ESPRESSO-4.2 available Stefano Baroni
[Pw_forum] plumed for ESPRESSO-4.2 available Huiqun Zhou
[Pw_forum] plumed for ESPRESSO-4.2 available Stefano Baroni
[Pw_forum] plumed for ESPRESSO-4.2 available marsamos at democritos.it
[Pw_forum] Postdoc position available at NANOTEC, Thailand Y. Tantirungrotechai
[Pw_forum] Postprocessing code for MSD Bertrand SITAMTZE
[Pw_forum] Predicting the cpu time usage for bigger system withour doing the simulation Dimpy Sharma
[Pw_forum] Predicting the cpu time usage for bigger system withour doing the simulation Michael Sullivan
[Pw_forum] Predicting the cpu time usage for bigger system withour doing the simulation Michael Sullivan
[Pw_forum] Predicting the cpu time usage for bigger system withour doing the simulation psavita at crlindia.com
[Pw_forum] Problem in DOS results Padmaja Patnaik
[Pw_forum] Problem in DOS results Gabriele Sclauzero
[Pw_forum] Problem in DOS results Padmaja Patnaik
[Pw_forum] Problem in DOS results Gabriele Sclauzero
[Pw_forum] problem with nbnd vicky singh
[Pw_forum] problem with vc-relax Olga Sedelnikova
[Pw_forum] problem with vc-relax Sanjeev Kumar Gupta
[Pw_forum] problem with vc-relax Olga Sedelnikova
[Pw_forum] problem with vc-relax Eyvaz Isaev
[Pw_forum] problem with vc-relax Phillip Nyawere
[Pw_forum] problem with vc-relax Masoud Nahali
[Pw_forum] problem with vc-relax Olga Sedelnikova
[Pw_forum] Pseudopotential for Europium Payam Norouzzadeh
[Pw_forum] pseudopotential rare earths Gianluca Giovannetti
[Pw_forum] Pw_forum Digest, Vol 37, Issue 46 : Re: Predicting the cpu time usage for bigger system withour doing the simulation psavita at crlindia.com
[Pw_forum] Question about vc-relax "Alejandro Rébola"
[Pw_forum] Question about vc-relax Hande Ustunel
[Pw_forum] Question on last line of XSpectra input file Cristian Degli Esposti Boschi
[Pw_forum] Raman Spectrum using CP.X S. Sanchez
[Pw_forum] Re : Is the Graphite surface flat ? Masoud Nahali
[Pw_forum] Relaxation with Spin-Orbit Coupling Julen Ibanez Azpiroz
[Pw_forum] Relaxation with Spin-Orbit Coupling Dal Corso Andrea
[Pw_forum] Relaxation with Spin-Orbit Coupling Julen Ibanez Azpiroz
[Pw_forum] Relaxation with Spin-Orbit Coupling Dal Corso Andrea
[Pw_forum] Relaxation with Spin-Orbit Coupling Julen Ibanez Azpiroz
[Pw_forum] SD PSP Suza W
[Pw_forum] SD PSP Paolo Giannozzi
[Pw_forum] Si bandgap using hybrid functionals Janam
[Pw_forum] Si bandgap using hybrid functionals Gabriele Sclauzero
[Pw_forum] Slab calculation in pwscf Guda Karthik
[Pw_forum] Slab calculation in pwscf mohnish pandey
[Pw_forum] source of error josepht at chips.ncsu.edu
[Pw_forum] starting_magnetization hanghui chen
[Pw_forum] starting_magnetization Paolo Giannozzi
[Pw_forum] starting_magnetization problem Weyl Fang
[Pw_forum] starting_magnetization problem Huiqun Zhou
[Pw_forum] starting_magnetization problem Weyl Fang
[Pw_forum] starting_magnetization problem Gabriele Sclauzero
[Pw_forum] STOP ERROR reading file header Elie Moujaes
[Pw_forum] STOP ERROR reading file header Eyvaz Isaev
[Pw_forum] STOP ERROR reading file header Elie Moujaes
[Pw_forum] strange behavior of npool + nscf output Daniel Forrer
[Pw_forum] strange behavior of npool + nscf output Gabriele Sclauzero
[Pw_forum] strange behavior of npool + nscf output Daniel Forrer
[Pw_forum] strange behavior of npool + nscf output Gabriele Sclauzero
[Pw_forum] Sym.Ops Masoud Nahali
[Pw_forum] Sym.Ops Gabriele Sclauzero
[Pw_forum] t and e states of Mn in GaAs nand
[Pw_forum] t and e states of Mn in GaAs Gabriele Sclauzero
[Pw_forum] TDDFT shudong wang
[Pw_forum] TDDFT Stefano Baroni
[Pw_forum] Temperature and Pressure control in FPMD simulation Lily Anh
[Pw_forum] Temperature and Pressure control in FPMD simulation giannozz at democritos.it
[Pw_forum] Thank You : Re: Phonons with non-collinear magnetism ? (Dal Corso Andrea) sonu kumar
[Pw_forum] Total magnetization and local magnetic moment Padmaja Patnaik
[Pw_forum] Total magnetization and local magnetic moment Gabriele Sclauzero
[Pw_forum] Total magnetization and local magnetic moment Padmaja Patnaik
[Pw_forum] Total magnetization and local magnetic moment Gabriele Sclauzero
[Pw_forum] Total magnetization and local magnetic moment Padmaja Patnaik
[Pw_forum] Total magnetization and local magnetic moment Gabriele Sclauzero
[Pw_forum] Two-electric fields method for Raman spectroscopy Luz Padro
[Pw_forum] ultrasoft Cs pseudopotential Nicola Marzari
[Pw_forum] ultrasoft Cs pseudopotential Suza W
[Pw_forum] ultrasoft Cs pseudopotential Nicola Marzari
[Pw_forum] ultrasoft Cs pseudopotential Miguel Martínez
[Pw_forum] Um convite especial Álvaro Santos Alves
[Pw_forum] Units of Raman Tensor S. Sanchez
[Pw_forum] Units of Raman Tensor giannozz at democritos.it
[Pw_forum] vc-relax and dt Masoud Nahali
[Pw_forum] vc-relax and dt Gabriele Sclauzero
[Pw_forum] vc-relax and dt Stefano de Gironcoli
[Pw_forum] vc-relax and dt Masoud Nahali
[Pw_forum] vc-relax time Masoud Nahali
[Pw_forum] vc-relax time Gabriele Sclauzero
[Pw_forum] vc-relax time Masoud Nahali
[Pw_forum] vc-relax time Gabriele Sclauzero
[Pw_forum] vc-relax time Masoud Nahali
[Pw_forum] vc-relax time and physical procedure Masoud Nahali
[Pw_forum] Zone centre phonons in ZrO2 ? sonu kumar
[Pw_forum] Zone centre phonons in ZrO2 ? Paolo Giannozzi
[Pw_forum] Zone centre phonons in ZrO2 ? sonu kumar
[Pw_forum] Zone centre phonons in ZrO2 ? sonu kumar

Last message date: Sat Jul 31 11:20:31 CEST 2010
Archived on: Wed Feb 28 11:05:40 CET 2018

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