October 2010 Archives by thread

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Starting: Fri Oct 1 09:43:30 CEST 2010
Ending: Sun Oct 31 22:13:24 CET 2010
Messages: 201

• [Pw_forum] parallel machine   Paolo Giannozzi
• [Pw_forum] the keyword in the pw.x   Paolo Giannozzi
• [Pw_forum] EXX on 1D supercells fail   Paolo Giannozzi
• [Pw_forum] [SOLVED ?] Re: weird phonon frequencies for 3X 3X 1 KPOINTS   Gabriele Sclauzero
  • [Pw_forum] Calculating g-tensor using gipaw   Aurab
• [Pw_forum] parallel version   mayank gupta
  • [Pw_forum] Problem running EXX_example   Raji Abdulrafiu
    • [Pw_forum] Problem running EXX_example   Paolo Giannozzi
  • [Pw_forum] Bilayer graphene with an electric field applied   Elie Moujaes
    • [Pw_forum] Question regarding the charge density   Somnath
      • [Pw_forum] Question regarding the charge density   Paolo Giannozzi
  • [Pw_forum] how to choose bds in PWCOND?   Manoj Srivastava
    • [Pw_forum] how to choose bds in PWCOND?   Gabriele Sclauzero
  • [Pw_forum] Potentials between two charged particles   Baowei Liu
    • [Pw_forum] Potentials between two charged particles   Stefano de Gironcoli
      • [Pw_forum] Potentials between two charged particles   Baowei Liu
      • [Pw_forum] Potentials between two charged particles   Stefano de Gironcoli
      • [Pw_forum] Potentials between two charged particles   Baowei Liu
      • [Pw_forum] relaxation and TS   Stefano Baroni
      • [Pw_forum] job vacancy   Stefano Baroni
      • [Pw_forum] Fwd: job vacancy   Stefano Baroni
• [Pw_forum] negative values in XANES (jiayu dai)   jiayudai
• [Pw_forum] d3 errors in file reading   matthieu verstraete
• [Pw_forum] Request about the "real" total energy   steve ndengué
  • [Pw_forum] Request about the "real" total energy   Stefano de Gironcoli
  • [Pw_forum] Request about the "real" total energy   Nicola Marzari
• [Pw_forum] Displacements corresponding to -ve Phonon modes   Bipul Rakshit
  • [Pw_forum] Displacements corresponding to -ve Phonon modes   Stefano Baroni
• [Pw_forum] problem with Xspectra   wumindt2
• [Pw_forum] problem with Xspectra   matteo calandra
  • [Pw_forum] Si diamond-cubic to beta-Sn transformation   Daryl Chrzan
  • [Pw_forum] Si diamond-cubic to beta-Sn transformation   Mike Mehl
• [Pw_forum] problem with Xspectra   wumindt2
  • [Pw_forum] Si diamond-cubic to beta-Sn transformation   Daryl Chrzan
  • [Pw_forum] Si diamond-cubic to beta-Sn transformation   mohnish pandey
  • [Pw_forum] Si diamond-cubic to beta-Sn transformation   Paolo Giannozzi
  • [Pw_forum] split q for electron-phonon coupling calculations   Mithra Chan
    • [Pw_forum] split q for electron-phonon coupling calculations   Dal Corso Andrea
      • [Pw_forum] split q for electron-phonon coupling calculations   Mithra Chan
• [Pw_forum] problem with Xspectra   matteo calandra
• [Pw_forum] USPP creation using ld1.x   HABIBI Parwana
  • [Pw_forum] USPP creation using ld1.x   Lorenzo Paulatto
• [Pw_forum] Differing bond lengths from relax calculation   Izaak Williamson
  • [Pw_forum] Differing bond lengths from relax calculation   Giuseppe Mattioli
  • [Pw_forum] Question about Young's modulus   Mahdi Mirnezhad
    • [Pw_forum] Question about Young's modulus   Mahdi Mirnezhad
      • [Pw_forum] Question about Young's modulus   Stefano de Gironcoli
• [Pw_forum] Negative rho is large   mayank gupta
• [Pw_forum] plot the wave functions   shudong wang
  • [Pw_forum] plot the wave functions   Jan Felix Binder
    • [Pw_forum] Si diamond-cubic to beta-Sn transformation   Daryl Chrzan
    • [Pw_forum] Si diamond-cubic to beta-Sn transformation   Mike Mehl
    • [Pw_forum] Si diamond-cubic to beta-Sn transformation   Daryl Chrzan
    • [Pw_forum] Si diamond-cubic to beta-Sn transformation   Paolo Giannozzi
• [Pw_forum] Some questions about IFC from PWSCF   john Bob
  • [Pw_forum] Some questions about IFC from PWSCF   Stefano de Gironcoli
    • [Pw_forum] Some questions about IFC from PWSCF   john Bob
    • [Pw_forum] Some questions about IFC from PWSCF   Stefano de Gironcoli
    • [Pw_forum] Some questions about IFC from PWSCF   john Bob
• [Pw_forum] Xspectra calculation   wumindt2
• [Pw_forum] Xspectra calculation   matteo calandra
• [Pw_forum] Xspectra calculation   wumindt2
• [Pw_forum] Way to do calculation using charge density of coarse grid for fine grid...   mohnish pandey
  • [Pw_forum] Way to do calculation using charge density of coarse grid for fine grid...   Paolo Giannozzi
• [Pw_forum] Xspectra calculation (wumindt2)   Matteo Calandra
• [Pw_forum] simulation of poisson effect in thin film   Wong Kelvin
• [Pw_forum] Xspectra calculation (wumindt2)   wumindt2
• [Pw_forum] Pw_forum Digest, Vol 40, Issue 19   matteo calandra
• [Pw_forum] cohesive energy   Shyam Khambholja
  • [Pw_forum] cohesive energy   Stefano de Gironcoli
  • [Pw_forum] cohesive energy   Stefano de Gironcoli
    • [Pw_forum] pw.x crash on LSF/mvapich   Kiss, Ioan
      • [Pw_forum] pw.x crash on LSF/mvapich   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 40, Issue 20   Shyam Khambholja
  • [Pw_forum] Pw_forum Digest, Vol 40, Issue 20   Tram Bui
  • [Pw_forum] Pw_forum Digest, Vol 40, Issue 20   Duy Le
  • [Pw_forum] Choice of cutoff (was: Pw_forum Digest, Vol 40, Issue 20)   Paolo Giannozzi
  • [Pw_forum] LDA+U calculation, difference in U values of one sort of atom.   Maxim
    • [Pw_forum] LDA+U calculation, difference in U values of one sort of atom.   Nicola Marzari
• [Pw_forum] About fhi2UPF.x   shudong wang
  • [Pw_forum] About fhi2UPF.x   Paolo Giannozzi
    • [Pw_forum] About fhi2UPF.x   Gabriele Sclauzero
  • [Pw_forum] a questoin about pressure and bulk modulus of system   meysam pazoki
    • [Pw_forum] a questoin about pressure and bulk modulus of system   Stefano Baroni
    • [Pw_forum] a questoin about pressure and bulk modulus of system   meysam pazoki
    • [Pw_forum] a questoin about pressure and bulk modulus of system   Stefano Baroni
    • [Pw_forum] a questoin about pressure and bulk modulus of system   Stefano Baroni
    • [Pw_forum] a questoin about pressure and bulk modulus of system   Stefano Baroni
• [Pw_forum] enthalpy of adsorbtion of o2 molecule on a ZnO supercell   meysam pazoki
  • [Pw_forum] enthalpy of adsorbtion of o2 molecule on a ZnO supercell   mohnish pandey
    • [Pw_forum] enthalpy of adsorbtion of o2 molecule on a ZnO supercell   Prasenjit Ghosh
• [Pw_forum] problem in generation of PP with semicore states?   sonu kumar
• [Pw_forum] perdew zunger pseudo potential for Sc,Cr and V.   george manyali
  • [Pw_forum] enthalpy of adsorbtion of o2 molecule on a ZnO supercell   meysam pazoki
    • [Pw_forum] enthalpy of adsorbtion of o2 molecule on a ZnO supercell   Prasenjit Ghosh
• [Pw_forum] Bond-order-corrected (or BOLS) pseudopotentials   Cristian Degli Esposti Boschi
• [Pw_forum] Bond-order-corrected (or BOLS) pseudopotentials   Cristian Degli Esposti Boschi
• [Pw_forum] calculation of transition level   kajal jindal
• [Pw_forum] EXX on 1D supercells fail - solved   Madan Mithra. L. M
  • [Pw_forum] EXX on 1D supercells fail - solved   Paolo Giannozzi
• [Pw_forum] enthalpy of adsorbtion of o2 molecule on a ZnO   meysam pazoki
• [Pw_forum] k_point for sheet in bands calculation   Farzad Molani
  • [Pw_forum] k_point for sheet in bands calculation   Duy Le
    • [Pw_forum] k_point for sheet in bands calculation   Gabriele Sclauzero
• [Pw_forum] Again: unable( impossible ) to generation PP with semicore states and NLCC ?   sonu kumar
  • [Pw_forum] Again: unable( impossible ) to generation PP with semicore states and NLCC ?   Duy Le
    • [Pw_forum] Again: unable( impossible ) to generation PP with semicore states and NLCC ?   Paolo Giannozzi
• [Pw_forum] Zn PAW pseudopotential   Jie Jiang
  • [Pw_forum] a question about pressure of system   meysam pazoki
• [Pw_forum] Too large susceptibility in NMR/ g-tensor calculations using GIPAW   Aurab
  • [Pw_forum] Too large susceptibility in NMR/ g-tensor calculations using GIPAW   Davide Ceresoli
    • [Pw_forum] R: Too large susceptibility in NMR/ g-tensor calculationsusing GIPAW   anna.ferrari at unito.it
• [Pw_forum] Again: unable( impossible ) to generation PP with semicore states and NLCC ?   sonu kumar
• [Pw_forum] Xspectra calculation (wumindt2)   wumindt2
• [Pw_forum] optical properties   Shyam Khambholja
• [Pw_forum] How to draw the wave function   loc duong ding
  • [Pw_forum] How to draw the wave function   Gabriele Sclauzero
• [Pw_forum] xspectra calculation (wumindt2)   Matteo Calandra
  • [Pw_forum] Again: unable( impossible ) to generation PP with semicore states and NLCC ?   sonu kumar
• [Pw_forum] network problem for parallel calculations   Mithra Chan
  • [Pw_forum] network problem for parallel calculations   Lorenzo Paulatto
    • [Pw_forum] network problem for parallel calculations   Mithra Chan
      • [Pw_forum] network problem for parallel calculations   Mithra Chan
      • [Pw_forum] network problem for parallel calculations   Paolo Giannozzi
• [Pw_forum] Bug in PlotPhon   Huiqun Zhou
  • [Pw_forum] Bug in PlotPhon   Eyvaz Isaev
• [Pw_forum] Pw_forum Digest, Vol 40, Issue 29   loc duong ding
  • [Pw_forum] Pw_forum Digest, Vol 40, Issue 29   Stefano de Gironcoli
• [Pw_forum] xspectra calculation (wumindt2)   wumindt2
• [Pw_forum] calculation error   archygu
  • [Pw_forum] calculation error   Paolo Giannozzi
• [Pw_forum] xspectra calculation   Matteo Calandra
• [Pw_forum] xspectra calculation   wumindt2
• [Pw_forum] How to draw the wave function   loc duong ding
  • [Pw_forum] How to draw the wave function   Paolo Giannozzi
• [Pw_forum] Nscf calculation problem   wumindt2
  • [Pw_forum] Nscf calculation problem   Paolo Giannozzi
    • [Pw_forum] Nscf calculation problem   Duy Le
• [Pw_forum] xspectra calculation   jiayudai
• [Pw_forum] xspectra calculation   Matteo Calandra
• [Pw_forum] pseudopotential   wumindt2
  • [Pw_forum] pseudopotential   Paolo Giannozzi
• [Pw_forum] xspectra calculation   Matteo Calandra
• [Pw_forum] xspectra calculation   jiayudai
• [Pw_forum] gipaw.x   clie at aphy.iphy.ac.cn
  • [Pw_forum] gipaw.x   Davide Ceresoli
• [Pw_forum] Guidelines for posting   Paolo Giannozzi
  • [Pw_forum] electron-phonon interaction in semiconductor   Lihong shi
    • [Pw_forum] electron-phonon interaction in semiconductor   Stefano Baroni
• [Pw_forum] question about pseudo and lowdin analysis   Cyrille Barreteau
  • [Pw_forum] question about pseudo and lowdin analysis   Paolo Giannozzi
    • [Pw_forum] RE : question about pseudo and lowdin analysis   BARRETEAU Cyrille
• [Pw_forum] How to draw the wave function   loc duong ding
  • [Pw_forum] How to draw the wave function   Paolo Giannozzi
  • [Pw_forum] positive fermi energy   david grifith
    • [Pw_forum] RE : positive fermi energy   BARRETEAU Cyrille
  • [Pw_forum] Supercell in GWW calculations   shudong wang
    • [Pw_forum] Supercell in GWW calculations   Mehmet Topsakal
    • [Pw_forum] Supercell in GWW calculations   Geoffrey Stenuit
• [Pw_forum] xspectra calculation   wumindt2
  • [Pw_forum] positive Fermi energy   david grifith
    • [Pw_forum] RE : positive Fermi energy   BARRETEAU Cyrille
      • [Pw_forum] RE : positive Fermi energy   Nicola Marzari
      • [Pw_forum] positive Fermi energy   Paolo Giannozzi
  • [Pw_forum] positive Fermi energy   david grifith
    • [Pw_forum] positive Fermi energy   Paolo Giannozzi
• [Pw_forum] Energy in output   Xiaochuan Ge
  • [Pw_forum] Energy in output   Paolo Giannozzi
• [Pw_forum] vc-relax output   Seyed Mojtaba Rezaei Sani
• [Pw_forum] vc-relax-temperature   ali kazempour
  • [Pw_forum] vc-relax-temperature   Paolo Giannozzi
  • [Pw_forum] positive Fermi energy   David Grifith
• [Pw_forum] How to draw the wave function   loc duong ding
  • [Pw_forum] How to draw the wave function   Gabriele Sclauzero
• [Pw_forum] The problem of calculating electron localization function (ELF) in QE-4.2.1   jiayudai
  • [Pw_forum] The problem of calculating electron localization function (ELF) in QE-4.2.1   chenjie gu
  • [Pw_forum] The problem of calculating electron localization function (ELF) in QE-4.2.1   Paolo Giannozzi
• [Pw_forum] batch file   B. Koa
  • [Pw_forum] batch file   Lorenzo Paulatto
• [Pw_forum] problem in electron localization function   chenjie gu
  • [Pw_forum] anything wrong with my wannier calculation?   Mithra Chan
    • [Pw_forum] anything wrong with my wannier calculation?   Nicola Marzari
• [Pw_forum] 'Tetrahedra' and 'scf'   Максим Попов
  • [Pw_forum] 'Tetrahedra' and 'scf'   Paolo Giannozzi
    • [Pw_forum] 'Tetrahedra' and 'scf'   Nicola Marzari
    • [Pw_forum] 'Tetrahedra' and 'scf'   Максим Попов
  • [Pw_forum] a2F calculation   HASAN SAHİN
    • [Pw_forum] a2F calculation   Eyvaz Isaev
    • [Pw_forum] 'Tetrahedra' and 'scf'   Eduardo Ariel Menendez Proupin
      • [Pw_forum] 'Tetrahedra' and 'scf'   Paolo Giannozzi
  • [Pw_forum] Brillouin Zone for my supercell   Elie Moujaes
    • [Pw_forum] Brillouin Zone for my supercell   R.C.Pasianot
    • [Pw_forum] Brillouin Zone for my supercell   Duy Le
      • [Pw_forum] Brillouin Zone for my supercell   Eyvaz Isaev
      • [Pw_forum] Brillouin Zone for my supercell   isaac motochi
      • [Pw_forum] Brillouin Zone for my supercell   Elie Moujaes
• [Pw_forum] norm conserving pseudopotential with multiple projectors and semicores   Sangkook Choi
  • [Pw_forum] (no subject)   amar shugani
• [Pw_forum] GDIS   B. Koa
  • [Pw_forum] GDIS   Stefano de Gironcoli
    • [Pw_forum] GDIS   Duy Le

Last message date: Sun Oct 31 22:13:24 CET 2010
Archived on: Sun Oct 31 22:14:14 CET 2010

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