June 2010 Archives by thread

• Messages sorted by: [ subject ] [ author ] [ date ]
• More info on this list...

Starting: Tue Jun 1 02:05:35 CEST 2010
Ending: Wed Jun 30 17:10:48 CEST 2010
Messages: 330

• [Pw_forum] My installation of Espresso 4.1/4.2 is not passing benchmarks   Christopher O'Brien
• [Pw_forum] My installation of Espresso 4.1/4.2 is not passingbenchmarks   Huiqun Zhou
• [Pw_forum] My installation of Espresso 4.1/4.2 is not passing benchmarks   Lorenzo Paulatto
• [Pw_forum] Is it possible to calculate the phonon dos for each branch?   Yamit
• [Pw_forum] how to do fixed volume optimization   Kun Yin
  • [Pw_forum] calculation with magnetic field   Gabriele Sclauzero
  • [Pw_forum] Is it possible to calculate the phonon dos for each branch?   Stefano Baroni
  • [Pw_forum] Is it possible to calculate the phonon dos for each branch?   Yamit
  • [Pw_forum] Is it possible to calculate the phonon dos for each branch?   Stefano Baroni
  • [Pw_forum] quenching input file example   chenjie gu
    • [Pw_forum] Computing Second order response   Stefano Baroni
• [Pw_forum] Raman intensities   loc duong ding
  • [Pw_forum] Raman intensities   xirainbow
  • [Pw_forum] Phonon frequency calculation   Weyl Fang
    • [Pw_forum] Phonon frequency calculation   Ngoc Linh Nguyen
  • [Pw_forum] Query regarding Al2O3 system slab calculation   Vikas Varshney
    • [Pw_forum] Query regarding Al2O3 system slab calculation   Ngoc Linh Nguyen
      • [Pw_forum] Query regarding Al2O3 system slab calculation   Vikas Varshney
  • [Pw_forum] start_q, last_q, start_irr, last_irr   Elie Moujaes
    • [Pw_forum] start_q, last_q, start_irr, last_irr   Jeffrey Mullen
• [Pw_forum] start_q, last_q, start_irr, last_irr   Eyvaz Isaev
  • [Pw_forum] start_q, last_q, start_irr, last_irr   Elie Moujaes
    • [Pw_forum] start_q, last_q, start_irr, last_irr   Eyvaz Isaev
    • [Pw_forum] davcio error   Eyvaz Isaev
• [Pw_forum] about the parameter of "nat_todo"   刘华忠
• [Pw_forum] Error in reading the Pseudopotentials taken from QE site?   sonu kumar
  • [Pw_forum] Error in reading the Pseudopotentials taken from QE site?   Ngoc Linh Nguyen
• [Pw_forum] solved:Error in reading the Pseudopotentials taken from QE site?   sonu kumar
  • [Pw_forum] Unit cell problem   mohsen modaresi
• [Pw_forum] Unit cell problem   Eyvaz Isaev
  • [Pw_forum] Unit cell problem   mohsen modaresi
  • [Pw_forum] Unit cell problem   Eyvaz Isaev
  • [Pw_forum] Unit cell problem   mohsen modaresi
  • [Pw_forum] Unit cell problem   Stefano Baroni
  • [Pw_forum] Unit cell problem   chenjie gu
• [Pw_forum] mkl problem   Giuseppe Mattioli
  • [Pw_forum] mkl problem   Ricardo Faccio
    • [Pw_forum] mkl problem   Giuseppe Mattioli
      • [Pw_forum] mkl problem   Osman Baris Malcioglu
      • [Pw_forum] mkl problem   Giuseppe Mattioli
      • [Pw_forum] mkl problem   Paolo Giannozzi
      • [Pw_forum] mkl problem   Paolo Giannozzi
  • [Pw_forum] overlap of atoms   Payam Norouzzadeh
    • [Pw_forum] overlap of atoms   Stefano Baroni
    • [Pw_forum] Phonons with non-collinear magnetism ?   sonu kumar
      • [Pw_forum] Phonons with non-collinear magnetism ?   Dal Corso Andrea
  • [Pw_forum] occupancies of density matrix in LDA+U   Gianluca Giovannetti
    • [Pw_forum] occupancies of density matrix in LDA+U   Gabriele Sclauzero
    • [Pw_forum] occupancies of density matrix in LDA+U   Gianluca Giovannetti
• [Pw_forum] some input parameter   chenjie gu
  • [Pw_forum] some input parameter   Paolo Giannozzi
    • [Pw_forum] How to calcualte anharmonic phonon lifetimes?   Yamit
  • [Pw_forum] error 208, reading namelist cell   Elie Moujaes
    • [Pw_forum] error 208, reading namelist cell   Gabriele Sclauzero
    • [Pw_forum] error 208, reading namelist cell   Elie Moujaes
• [Pw_forum] overlap of atoms   Payam Norouzzadeh
  • [Pw_forum] overlap of atoms   Stefano Baroni
  • [Pw_forum] overlap of atoms   Lorenzo Paulatto
• [Pw_forum] how to do fixed volume optimization   Davide Ceresoli
  • [Pw_forum] error while compiling the start_q, last_q, start_irr and last_irr technique   Elie Moujaes
• [Pw_forum] error while compiling the start_q, last_q, start_irr and last_irr technique   Andrea Dal Corso
  • [Pw_forum] error while compiling the start_q, last_q, start_irr and last_irr technique   Elie Moujaes
    • [Pw_forum] error while compiling the start_q, last_q, start_irr and last_irr technique   Dal Corso Andrea
    • [Pw_forum] Problem with ibrav=0 in supercell calculations   DHRUV SINGH
    • [Pw_forum] Problem with ibrav=0 in supercell calculations   Mark Mazar
• [Pw_forum] Pseudo Sr   Suza W
• [Pw_forum] HSE error   kazempoor at ph.iut.ac.ir
  • [Pw_forum] HSE error   marsamos at democritos.it
  • [Pw_forum] HSE error   marsamos at democritos.it
    • [Pw_forum] HSE error   Gabriele Sclauzero
  • [Pw_forum] KZK method   mohaddeseh abbasnejad
    • [Pw_forum] KZK method   William Parker
      • [Pw_forum] KZK method   mohaddeseh abbasnejad
      • [Pw_forum] KZK method   Luke Shulenburger
      • [Pw_forum] KZK method   mohaddeseh abbasnejad
      • [Pw_forum] KZK method   Luke Shulenburger
• [Pw_forum] checkallsym : error   giacsport at libero.it
  • [Pw_forum] checkallsym : error   Paolo Giannozzi
  • [Pw_forum] checkallsym : error   Paolo Giannozzi
• [Pw_forum] LDA norm-conserving pseudopotentials of Zn, Ga or In atoms   li niu
• [Pw_forum] a question about plotrho.x   vega lew
  • [Pw_forum] a question about plotrho.x   Paolo Giannozzi
  • [Pw_forum] a question about plotrho.x   vega lew
  • [Pw_forum] vc-relax of a 60 atom supercell   Elie Moujaes
    • [Pw_forum] vc-relax of a 60 atom supercell   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 36, Issue 21   Thaneshwor Kaloni
  • [Pw_forum] PLEASE, USE MESSAGE-SPECIFIC "subject" HEADERS - Re: Pw_forum Digest, Vol 36, Issue 21   Stefano Baroni
  • [Pw_forum] Pw_forum Digest, Vol 36, Issue 23   Thaneshwor Kaloni
    • [Pw_forum] Pw_forum Digest, Vol 36, Issue 23   Stefano de Gironcoli
• [Pw_forum] Rs: the charge of the individual atom   Weyl Fang
  • [Pw_forum] Rs: the charge of the individual atom   mohnish pandey
• [Pw_forum] the charge of the individual atom   lfhuang
• [Pw_forum] the charge of the individual atom   Weyl Fang
• [Pw_forum] Calculating multiple el-ph matrices simultaneously   Hahnbidt Rhee
  • [Pw_forum] Calculating multiple el-ph matrices simultaneously   Huiqun Zhou
  • [Pw_forum] Calculating multiple el-ph matrices simultaneously   Paolo Giannozzi
• [Pw_forum] MnSe-passivation   peyman amiri
  • [Pw_forum] MnSe-passivation   Stefano de Gironcoli
• [Pw_forum] error in gamma   kazempoor at ph.iut.ac.ir
  • [Pw_forum] error in gamma   Paolo Giannozzi
    • [Pw_forum] error in gamma   ali kazempour
      • [Pw_forum] error in gamma   Paolo Giannozzi
• [Pw_forum] strange behaviour in LDA+U calculations   Giuseppe Mattioli
  • [Pw_forum] strange behaviour in LDA+U calculations   Matteo Cococcioni
  • [Pw_forum] strange behaviour in LDA+U calculations   Nicola Marzari
    • [Pw_forum] strange behaviour in LDA+U calculations   Giuseppe Mattioli
• [Pw_forum] "nat_todo",could anyone help me?   刘华忠
  • [Pw_forum] "nat_todo",could anyone help me?   Ngoc Linh Nguyen
• [Pw_forum] LDA psudopotential for La   Tengfei Luo
• [Pw_forum] "nat_todo",could anyone help me?   刘华忠
  • [Pw_forum] "nat_todo",could anyone help me?   Lorenzo Paulatto
    • [Pw_forum] "nat_todo",could anyone help me?   Martin Andersson
• [Pw_forum] DFT+U   Vi Vo
  • [Pw_forum] DFT+U   Ricardo Faccio
    • [Pw_forum] DFT+U   Vi Vo
• [Pw_forum] Phonon restart error   loc duong ding
  • [Pw_forum] Phonon restart error   Ngoc Linh Nguyen
• [Pw_forum] pseudopotntial for K   Álvaro Alves
  • [Pw_forum] pseudopotntial for K   Derek Stewart
• [Pw_forum] On line DFT calculations   nand
  • [Pw_forum] On line DFT calculations   Lorenzo Paulatto
• [Pw_forum] About 'qcutz', 'q2sigma' and 'ecfixed' in 'vc-relax'   Madan Mithra. L. M
• [Pw_forum] tot_magnetization   hanghui chen
  • [Pw_forum] tot_magnetization   Paolo Giannozzi
• [Pw_forum] k_points   raheleh vaziri
  • [Pw_forum] k_points   xirainbow
    • [Pw_forum] k_points   Paolo Giannozzi
  • [Pw_forum] not able to install espresso   vicky singh
    • [Pw_forum] not able to install espresso   Paolo Giannozzi
  • [Pw_forum] PP for Rhenium   vicky singh
    • [Pw_forum] PP for Rhenium   Paolo Giannozzi
    • [Pw_forum] PP for Rhenium   vicky singh
    • [Pw_forum] PP for Rhenium   Stefano Baroni
    • [Pw_forum] PP for Rhenium   vicky singh
    • [Pw_forum] PP for Rhenium   Giuseppe Mattioli
    • [Pw_forum] PP for Rhenium   vicky singh
    • [Pw_forum] PP for Rhenium   vicky singh
    • [Pw_forum] PP for Rhenium   Stefano Baroni
    • [Pw_forum] PP for Rhenium   Giuseppe Mattioli
    • [Pw_forum] PP for Rhenium   Lorenzo Paulatto
    • [Pw_forum] PP for Rhenium   Giuseppe Mattioli
    • [Pw_forum] SIGSEGV, segmentation fault occurred   nazari at iasbs.ac.ir
    • [Pw_forum] SIGSEGV, segmentation fault occurred   Paolo Giannozzi
    • [Pw_forum] right method   Eyvaz Isaev
  • [Pw_forum] Pw_forum Digest, Vol 36, Issue 34   Thaneshwor Kaloni
    • [Pw_forum] Pw_forum Digest, Vol 36, Issue 34   Ngoc Linh Nguyen
• [Pw_forum] Computing Second order response   loc duong ding
  • [Pw_forum] Computing Second order response   Stefano Baroni
• [Pw_forum] k_points   raheleh vaziri
  • [Pw_forum] k_points   Stefano Baroni
  • [Pw_forum] Pw_forum Digest, Vol 36, Issue 38   Thaneshwor Kaloni
    • [Pw_forum] Pw_forum Digest, Vol 36, Issue 38   Stefano Baroni
• [Pw_forum] total potential plot   Matteo Cococcioni
  • [Pw_forum] total potential plot   Paolo Giannozzi
  • [Pw_forum] total potential plot   Matteo Cococcioni
• [Pw_forum] Computing Second order response   loc duong ding
  • [Pw_forum] Computing Second order response   Stefano Baroni
  • [Pw_forum] Can we use "Blue moon sampling" in PWSCF   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Wrong Mn Pdos Orbital   nand
  • [Pw_forum] Wrong Mn Pdos Orbital   Bipul Rakshit
    • [Pw_forum] Wrong Mn Pdos Orbital   Paolo Giannozzi
    • [Pw_forum] Pw_forum Digest, Vol 36, Issue 40   Thaneshwor Kaloni
      • [Pw_forum] Pw_forum Digest, Vol 36, Issue 40   Giuseppe Mattioli
      • [Pw_forum] Pw_forum Digest, Vol 36, Issue 40   Stefano Baroni
  • [Pw_forum] Can we use "Blue moon sampling" in PWSCF   Antonio Tilocca
    • [Pw_forum] PP for Au   Olga Sedelnikova
      • [Pw_forum] PP for Au   Gabriele Sclauzero
• [Pw_forum] BUG: OpenMP in espresso 4.2   Henning Glawe
  • [Pw_forum] BUG: OpenMP in espresso 4.2   Paolo Giannozzi
• [Pw_forum] plotband.x problem   Mahmood Samadpoor
  • [Pw_forum] plotband.x problem   mohsen modaresi
    • [Pw_forum] 2. PP for Au   psavita at crlindia.com
• [Pw_forum] Computing Second order response   loc duong ding
  • [Pw_forum] Computing Second order response   Stefano Baroni
• [Pw_forum] pseudo-potential for virtual atom   German Samolyuk
  • [Pw_forum] pseudo-potential for virtual atom   Paolo Giannozzi
  • [Pw_forum] Problem in reading PP's taken from QE site?   sonu kumar
    • [Pw_forum] Problem in reading PP's taken from QE site?   Paolo Giannozzi
• [Pw_forum] 2. PP for Au (psavita at crlindia.com)   Olga Sedelnikova
• [Pw_forum] Zn NCPP pseudopotential   giacsport at libero.it
  • [Pw_forum] Zn NCPP pseudopotential   Lorenzo Paulatto
    • [Pw_forum] Zn NCPP pseudopotential   Paolo Giannozzi
  • [Pw_forum] Pw_forum Digest, Vol 36, Issue 45   Thaneshwor Kaloni
    • [Pw_forum] Cohesive energy (was: annoying irrelevant   Paolo Giannozzi
    • [Pw_forum] Pw_forum Digest, Vol 36, Issue 45   Stefano Baroni
• [Pw_forum] About the flattening of phonon branches   Reza Ebraahimi
  • [Pw_forum] About the flattening of phonon branches   Stefano Baroni
• [Pw_forum] overlap of atoms   Payam Norouzzadeh
  • [Pw_forum] overlap of atoms   elbuesta at icqmail.com
  • [Pw_forum] overlap of atoms   Lorenzo Paulatto
• [Pw_forum] spin multiplicity   Weyl Fang
  • [Pw_forum] spin multiplicity   Paolo Giannozzi
• [Pw_forum] Problem in reading PP's taken from QE site?   sonu kumar
  • [Pw_forum] Problem in reading PP's taken from QE site?   Michael Sullivan
  • [Pw_forum] Problem in reading PP's taken from QE site?   mohsen modaresi
  • [Pw_forum] Problem in reading PP's taken from QE site?   Paolo Giannozzi
• [Pw_forum] R: Re: Zn NCPP pseudopotential   giacsport at libero.it
• [Pw_forum] About the flattening of phonon branches   Reza Ebraahimi
  • [Pw_forum] overlap of atoms   Payam Norouzzadeh
    • [Pw_forum] overlap of atoms   Lorenzo Paulatto
  • [Pw_forum] Problem in reading PP's taken from QE site?   sonu kumar
• [Pw_forum] different structure under xyz file and scf file for carbon nanotube   chengyu yang
  • [Pw_forum] Fwd: different structure under xyz file and scf file for carbon nanotube   chengyu yang
    • [Pw_forum] Fwd: different structure under xyz file and scf file for carbon nanotube   Leonardo Matheus
      • [Pw_forum] Fwd: different structure under xyz file and scf file for carbon nanotube   chengyu yang
• [Pw_forum] Pseudo Ba   Suza W
• [Pw_forum] carbon nanotube & copper chain   chengyu yang
  • [Pw_forum] carbon nanotube & copper chain   xirainbow
    • [Pw_forum] carbon nanotube & copper chain   chengyu yang
      • [Pw_forum] carbon nanotube & copper chain   xirainbow
      • [Pw_forum] carbon nanotube & copper chain   chengyu yang
    • [Pw_forum] carbon nanotube & copper chain   Nicola Marzari
      • [Pw_forum] carbon nanotube & copper chain   xirainbow
      • [Pw_forum] carbon nanotube & copper chain   Stefano Baroni
      • [Pw_forum] carbon nanotube & copper chain   xirainbow
      • [Pw_forum] carbon nanotube & copper chain   chengyu yang
      • [Pw_forum] carbon nanotube & copper chain   Mighfar Imam
      • [Pw_forum] carbon nanotube & copper chain   chengyu yang
      • [Pw_forum] carbon nanotube & copper chain   chengyu yang
  • [Pw_forum] Wu-Cohen GGA   S. K. S.
    • [Pw_forum] Wu-Cohen GGA   Luke Shulenburger
• [Pw_forum] B3LYP   Vi Vo
  • [Pw_forum] B3LYP   Giuseppe Mattioli
    • [Pw_forum] B3LYP   Vi Vo
      • [Pw_forum] B3LYP   Paolo Giannozzi
• [Pw_forum] irreducible representations   eli
  • [Pw_forum] irreducible representations   xirainbow
  • [Pw_forum] irreducible representations   Stefano Baroni
• [Pw_forum] GWW for metal   ali kazempour
  • [Pw_forum] GWW for metal   Stefano Baroni
  • [Pw_forum] GWW for metal   ali kazempour
  • [Pw_forum] GWW for metal   Stefano Baroni
• [Pw_forum] consistent Fe,Se,Te pseudopotential files   Gianluca Giovannetti
  • [Pw_forum] consistent Fe,Se,Te pseudopotential files   Paolo Giannozzi
    • [Pw_forum] consistent Fe,Se,Te pseudopotential files   Gianluca Giovannetti
      • [Pw_forum] consistent Fe,Se,Te pseudopotential files   Stefano de Gironcoli
      • [Pw_forum] consistent Fe,Se,Te pseudopotential files   Gianluca Giovannetti
• [Pw_forum] pseudopotential   archygu
  • [Pw_forum] pseudopotential   Giuseppe Mattioli
    • [Pw_forum] pseudopotential   Lorenzo Paulatto
      • [Pw_forum] pseudopotential   Giuseppe Mattioli
• [Pw_forum] offset   raheleh vaziri
  • [Pw_forum] offset   Ngoc Linh Nguyen
• [Pw_forum] elestic constant for Hexagonal   ali kazempour
  • [Pw_forum] elestic constant for Hexagonal   Максим Попов
• [Pw_forum] occupancies of density matrix in LDA+U vs output polarization in Lowdin Charges   Gianluca Giovannetti
  • [Pw_forum] occupancies of density matrix in LDA+U vs output polarization in Lowdin Charges   Dmitry Korotin
• [Pw_forum] occupancies of density matrix in LDA+U vs output polarization in Lowdin Charges   lfhuang
  • [Pw_forum] occupancies of density matrix in LDA+U vs output polarization in Lowdin Charges   Gianluca Giovannetti
• [Pw_forum] problem with vc-relax and spin-polarization   Bryan M. Wong
  • [Pw_forum] problem with vc-relax and spin-polarization   Stefano de Gironcoli
• [Pw_forum] Freezing computation during geometry optimization using BFGS   Ahmet Cicek
  • [Pw_forum] Freezing computation during geometry optimization using BFGS   Stefano Baroni
• [Pw_forum] pressure derivative of elastic constant   Bipul Rakshit
  • [Pw_forum] pressure derivative of elastic constant   Stefano Baroni
  • [Pw_forum] pressure derivative of elastic constant   Bipul Rakshit
• [Pw_forum] LDA+U Ti   Iris Theophilou
• [Pw_forum] LDA+U Ti   Iris Theophilou
  • [Pw_forum] LDA+U Ti   Giuseppe Mattioli
• [Pw_forum] Pw_forum Digest, Vol 36, Issue 63   Thaneshwor Kaloni
  • [Pw_forum] internal error, cannot braket Ef   Ngoc Linh Nguyen
  • [Pw_forum] Bad input (and bad manners) Was: Pw_forum Digest   Paolo Giannozzi
    • [Pw_forum] About phonon lifetimes   Yamit
      • [Pw_forum] About phonon lifetimes   Ngoc Linh Nguyen
      • [Pw_forum] About phonon lifetimes   Yamit
      • [Pw_forum] About phonon lifetimes   Goranka Bilalbegovic
      • [Pw_forum] About phonon lifetimes   Yamit
• [Pw_forum] Do you think QE could get a considerable improved performance on AMD 6100 series CPUs   vega lew
  • [Pw_forum] plotrho.x error   chengyu yang
    • [Pw_forum] plotrho.x error   Stefano de Gironcoli
    • [Pw_forum] plotrho.x error   chengyu yang
    • [Pw_forum] plotrho.x error   Paolo Giannozzi
    • [Pw_forum] plotrho.x error   chengyu yang
• [Pw_forum] Is there PBE or LDA UPF for Rb element?   李斌
• [Pw_forum] Energy conservation in Verlet-MD?   Norbert Nemec
  • [Pw_forum] Energy conservation in Verlet-MD?   Stefano de Gironcoli
    • [Pw_forum] Energy conservation in Verlet-MD?   Norbert Nemec
• [Pw_forum] matdyn.x   Q.J.Wang
  • [Pw_forum] matdyn.x   Prasenjit Ghosh
• [Pw_forum] lambda.x problem, espresso 4.2   李斌
  • [Pw_forum] lambda.x problem, espresso 4.2   Hanyu
  • [Pw_forum] lambda.x problem, espresso 4.2   Stefano de Gironcoli
    • [Pw_forum] lambda.x problem, espresso 4.2   Eyvaz Isaev
• [Pw_forum] no interaction in my 2-D charge density contour   chengyu yang
  • [Pw_forum] no interaction in my 2-D charge density contour   Paolo Giannozzi
  • [Pw_forum] no interaction in my 2-D charge density contour   chengyu yang
  • [Pw_forum] no interaction in my 2-D charge density contour   Stefano Baroni
  • [Pw_forum] no interaction in my 2-D charge density contour   chengyu yang
  • [Pw_forum] no interaction in my 2-D charge density contour   Paolo Giannozzi
  • [Pw_forum] no interaction in my 2-D charge density contour   chengyu yang
  • [Pw_forum] no interaction in my 2-D charge density contour   Paolo Giannozzi
  • [Pw_forum] no interaction in my 2-D charge density contour   chengyu yang
• [Pw_forum] Pw_forum Digest, Vol 36, Issue 68   Q.J.Wang
  • [Pw_forum] Pw_forum Digest, Vol 36, Issue 68   Gabriele Sclauzero
  • [Pw_forum] Example-29, NOTE : eigenvalues are not computed without ortho.   joaquin peralta
• [Pw_forum] ultrasoft Cs pseudopotential   Suza W
  • [Pw_forum] ultrasoft Cs pseudopotential   Suza W
• [Pw_forum] PW interfaced with DMFT code   Gianluca Giovannetti
• [Pw_forum] Eu or Sm Pseudo Potential   S. K. S.
  • [Pw_forum] Eu or Sm Pseudo Potential   Paolo Giannozzi
• [Pw_forum] Example-29, "NOTE : eigenvalues are not computed without ortho."   joaquin peralta
  • [Pw_forum] Example-29, "NOTE : eigenvalues are not computed without ortho."   Paolo Giannozzi
• [Pw_forum] Cannot reproduce standard CO/Au(111) adsorption energy calculations   Janesko, Benjamin
  • [Pw_forum] Cannot reproduce standard CO/Au(111) adsorption energy calculations   Paolo Giannozzi
• [Pw_forum] meta-GGA (TPSS) PP generation code   yuning wu
  • [Pw_forum] meta-GGA (TPSS) PP generation code   Paolo Giannozzi
  • [Pw_forum] Is there a way to fix the c of supercell and vary only a and b   mohnish pandey
    • [Pw_forum] Is there a way to fix the c of supercell and vary only a and b   Paolo Giannozzi
    • [Pw_forum] Is there a way to fix the c of supercell and vary only a and b   mohnish pandey
    • [Pw_forum] Is there a way to fix the c of supercell and vary only a and b   Paolo Giannozzi
• [Pw_forum] npool and electron phonon calculation   asubedi
  • [Pw_forum] npool and electron phonon calculation   Paolo Giannozzi
  • [Pw_forum] npool and electron phonon calculation   Paolo Giannozzi
• [Pw_forum] norm-conserving potential of Fluorine   shudong wang
  • [Pw_forum] norm-conserving potential of Fluorine   Paolo Giannozzi
    • [Pw_forum] PW very sensitive to number of processors and pools   Christopher O'Brien
    • [Pw_forum] PW very sensitive to number of processors and pools   Paolo Giannozzi
    • [Pw_forum] PW very sensitive to number of processors and pools   Christopher O'Brien
• [Pw_forum] Diagonal values are not equivalent of dielectric tensor and effective charge   Q.J.Wang
  • [Pw_forum] Diagonal values are not equivalent of dielectric tensor and effective charge   Lorenzo Paulatto
• [Pw_forum] What's real imaginary frequency of the transition state?   刘华忠
  • [Pw_forum] What's real imaginary frequency of the transition state?   Stefano Baroni
  • [Pw_forum] electrochemical potential   Masoud Nahali
    • [Pw_forum] electrochemical potential   Paolo Giannozzi
      • [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] electron-phonon coupling and pseudopotential choice   Oleg Sergeev
  • [Pw_forum] electron-phonon coupling and pseudopotential choice   Stefano de Gironcoli
    • [Pw_forum] electron-phonon coupling and pseudopotential choice   Oleg Sergeev
  • [Pw_forum] optimizing cell parameters and choosing k-points of graphite   Masoud Nahali

Last message date: Wed Jun 30 17:10:48 CEST 2010
Archived on: Wed Jun 30 17:18:18 CEST 2010

• Messages sorted by: [ subject ] [ author ] [ date ]
• More info on this list...