January 2009 Archives by author

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Starting: Thu Jan 1 15:00:20 CET 2009
Ending: Sat Jan 31 20:12:22 CET 2009
Messages: 329

• [Pw_forum] spin-orbit coupling   Sezgin AYDIN
• [Pw_forum] ph.x   Álvaro Alves
• [Pw_forum] from read_namelists : error # 1   Jonas Baltrusaitis
• [Pw_forum] wrong path to the pseudo folder   Jonas Baltrusaitis
• [Pw_forum] vdW-df functional   Jonas Baltrusaitis
• [Pw_forum] vdW-df functional   Jonas Baltrusaitis
• [Pw_forum] input for a polymer crystal   Jonas Baltrusaitis
• [Pw_forum] specifyint angle in monoclinic cell   Jonas Baltrusaitis
• [Pw_forum] vibrational frequencies   Jonas Baltrusaitis
• [Pw_forum] vibrational frequencies   Jonas Baltrusaitis
• [Pw_forum] vibrational frequencies   Jonas Baltrusaitis
• [Pw_forum] compound jobs   Jonas Baltrusaitis
• [Pw_forum] convergence issues   Jonas Baltrusaitis
• [Pw_forum] convergence issues   Jonas Baltrusaitis
• [Pw_forum] convergence issues   Jonas Baltrusaitis
• [Pw_forum] charge is wrong and system is non-metallic   Jonas Baltrusaitis
• [Pw_forum] charge is wrong and system is non-metallic   Jonas Baltrusaitis
• [Pw_forum] mailman test - please ignore this mail   Moreno Baricevic
• [Pw_forum] small energy difference in B1 and B2 structure   Stefano Baroni
• [Pw_forum] Want to calculate optical properties within pwscf-dfpt.   Stefano Baroni
• [Pw_forum] K_POINTS, tpiba or crystal   Stefano Baroni
• [Pw_forum] generalized Bloch theorem   Stefano Baroni
• [Pw_forum] problem with vc-relax   Stefano Baroni
• [Pw_forum] 2D electron gas   Stefano Baroni
• [Pw_forum] problem with vc-relax   Stefano Baroni
• [Pw_forum] spin glass calculation by first principle method   Stefano Baroni
• [Pw_forum] TD-DFT   Stefano Baroni
• [Pw_forum] vibrational frequencies   Stefano Baroni
• [Pw_forum] notification   Stefano Baroni
• [Pw_forum] error got by using program pp.x to deal with the input file   Stefano Baroni
• [Pw_forum] TD-DFT   Stefano Baroni
• [Pw_forum] elastic constant and bulk modulus   Stefano Baroni
• [Pw_forum] phonon calculation crashes   Stefano Baroni
• [Pw_forum] How/where to get DISPLACEMENT PATTERN   Stefano Baroni
• [Pw_forum] How/where to get DISPLACEMENT PATTERN   Stefano Baroni
• [Pw_forum] Problem about "ibrav=7" running scf calculation   J. D. Burton
• [Pw_forum] Transport with pw_cond copper   J. D. Burton
• [Pw_forum] What are 'forrtl: severe (59):' means   Giovanni Cantele
• [Pw_forum] inconsistent DFT read   Giovanni Cantele
• [Pw_forum] notification   Giovanni Cantele
• [Pw_forum] error got by using program pp.x to deal with the input file   Weiguang Chen
• [Pw_forum] error got by using program pp.x to deal with the input file   Weiguang Chen
• [Pw_forum] error got by using program pp.x to deal with the input file   Weiguang Chen
• [Pw_forum] calculating U   Matteo Cococcioni
• [Pw_forum] Hubbard_U and Hubbard_alpha   Matteo Cococcioni
• [Pw_forum] Phonon calculations and LDA+U   Matteo Cococcioni
• [Pw_forum] Hubbard U approach in PWSCF   Matteo Cococcioni
• [Pw_forum] 2D electron gas   Reza Ebraahimi
• [Pw_forum] Compile error on OS X PPC w/ gfortran   David Farrell
• [Pw_forum] Compile error on OS X PPC w/ gfortran   David Farrell
• [Pw_forum] vc-relax   David Farrell
• [Pw_forum] PW taskgroups and a large run on a BG/P   David Farrell
• [Pw_forum] PW taskgroups and a large run on a BG/P   David Farrell
• [Pw_forum] PW taskgroups and a large run on a BG/P   David Farrell
• [Pw_forum] epsilon   Paolo Giannozzi
• [Pw_forum] question about vc-relax   Paolo Giannozzi
• [Pw_forum] Advice on Electron-Phonon Calculations   Paolo Giannozzi
• [Pw_forum] K_POINTS, tpiba or crystal   Paolo Giannozzi
• [Pw_forum] Problem with average.x   Paolo Giannozzi
• [Pw_forum] Problem about "ibrav=7" running scf calculation   Paolo Giannozzi
• [Pw_forum] Problem with average.x   Paolo Giannozzi
• [Pw_forum] vc_relax convergence criteria   Paolo Giannozzi
• [Pw_forum] complex band   Paolo Giannozzi
• [Pw_forum] relaxation problem on IBM bluegene machine   Paolo Giannozzi
• [Pw_forum] relaxation problem on IBM bluegene machine   Paolo Giannozzi
• [Pw_forum] vc_relax convergence criteria   Paolo Giannozzi
• [Pw_forum] What are 'forrtl: severe (59):' means   Paolo Giannozzi
• [Pw_forum] "ibrav=7"   Paolo Giannozzi
• [Pw_forum] "ibrav=7"   Paolo Giannozzi
• [Pw_forum] problem in vc-relax with c_bands   Paolo Giannozzi
• [Pw_forum] WFC file record format   Paolo Giannozzi
• [Pw_forum] How to configure "MPI_LIB=" in make.sys ?   Paolo Giannozzi
• [Pw_forum] Definition of qfunc in UPF file and the source code realus, f90 and init_us_1.f90   Paolo Giannozzi
• [Pw_forum] Definition of qfunc in UPF file and the source code realus, f90 and init_us_1.f90   Paolo Giannozzi
• [Pw_forum] vdW-df functional   Paolo Giannozzi
• [Pw_forum] cell_dofree = volume not yet implemented   Paolo Giannozzi
• [Pw_forum] Doubt in occupations   Paolo Giannozzi
• [Pw_forum] cell_dofree = volume not yet implemented   Paolo Giannozzi
• [Pw_forum] a question of el-ph calculation   Paolo Giannozzi
• [Pw_forum] Dielectric constant with Lyddane-Sachs-Teller relation   Paolo Giannozzi
• [Pw_forum] Dielectric constant with Lyddane-Sachs-Teller relation   Paolo Giannozzi
• [Pw_forum] Mailing list & web site malfunctioning   Paolo Giannozzi
• [Pw_forum] Molecular dynamics with change of temperature   Paolo Giannozzi
• [Pw_forum] Increase in number of diagonalization errors   Paolo Giannozzi
• [Pw_forum] band gap problem   Paolo Giannozzi
• [Pw_forum] Problem about the inputs of 'dos.x'   Paolo Giannozzi
• [Pw_forum] Molecular dynamics with change of temperature   Paolo Giannozzi
• [Pw_forum] band gap problem   Paolo Giannozzi
• [Pw_forum] Relax structure after getting the cell relaxation result   Paolo Giannozzi
• [Pw_forum] specifyint angle in monoclinic cell   Paolo Giannozzi
• [Pw_forum] phonon calculation crashes   Paolo Giannozzi
• [Pw_forum] problem with vc-relax   Stefano de Gironcoli
• [Pw_forum] inconsistent DFT read   Stefano de Gironcoli
• [Pw_forum] K_POINTS, tpiba or crystal   Paul M. Grant
• [Pw_forum] Transport with pw_cond copper   Nicki F. Hinsche
• [Pw_forum] electron-phonon coefficients   C.H. Hu
• [Pw_forum] small energy difference in B1 and B2 structure   Eyvaz Isaev
• [Pw_forum] electron-phonon coefficients   Eyvaz Isaev
• [Pw_forum] electron-phonon coefficients   Eyvaz Isaev
• [Pw_forum] compound jobs   Eyvaz Isaev
• [Pw_forum] charge is wrong   Eyvaz Isaev
• [Pw_forum] charge is wrong   Eyvaz Isaev
• [Pw_forum] spin-orbit coupling   Eyvaz Isaev
• [Pw_forum] elastic constant and bulk modulus   Eyvaz Isaev
• [Pw_forum] elastic constant and bulk modulus   Eyvaz Isaev
• [Pw_forum] Phonon calculations and LDA+U   Eyvaz Isaev
• [Pw_forum] Phonon calculations and LDA+U   Eyvaz Isaev
• [Pw_forum] How to calculate the Partial Phonon Density Of States ?   Eyvaz Isaev
• [Pw_forum] phonon calculation crashes   Eyvaz Isaev
• [Pw_forum] ph.x   Eyvaz Isaev
• [Pw_forum] ph.x   Eyvaz Isaev
• [Pw_forum] something about Pt.pw91-n-van.UPF   Eyvaz Isaev
• [Pw_forum] Phonon calculations and LDA+U   Adam Jacobsson
• [Pw_forum] problem with average.x   Jiaye, Li
• [Pw_forum] Problem with average.x   Jiaye, Li
• [Pw_forum] Projection, convergence and imaginary phonon frequencies   John Kendrick
• [Pw_forum] Projection, convergence and imaginary phonon frequencies   John Kendrick
• [Pw_forum] How to understand the intermolecular force between water molecules calculated by PWSCF   Axel Kohlmeyer
• [Pw_forum] Problem about "ibrav=7" running scf calculation   Axel Kohlmeyer
• [Pw_forum] from read_namelists : error # 1   Axel Kohlmeyer
• [Pw_forum] problem with vc-relax   Axel Kohlmeyer
• [Pw_forum] WFC file record format   Axel Kohlmeyer
• [Pw_forum] problem with vc-relax   Axel Kohlmeyer
• [Pw_forum] wrong path to the pseudo folder   Axel Kohlmeyer
• [Pw_forum] Energy of CO Crystal   Axel Kohlmeyer
• [Pw_forum] vdW-df functional   Axel Kohlmeyer
• [Pw_forum] input for a polymer crystal   Axel Kohlmeyer
• [Pw_forum] cell_dofree = volume not yet implemented   Axel Kohlmeyer
• [Pw_forum] Projection, convergence and imaginary phonon frequencies   Axel Kohlmeyer
• [Pw_forum] Projection, convergence and imaginary phonon frequencies   Axel Kohlmeyer
• [Pw_forum] Molecular dynamics with change of temperature   Axel Kohlmeyer
• [Pw_forum] k grid   Axel Kohlmeyer
• [Pw_forum] vibrational frequencies   Axel Kohlmeyer
• [Pw_forum] compound jobs   Axel Kohlmeyer
• [Pw_forum] a question for projwfc.x   Axel Kohlmeyer
• [Pw_forum] Using wfc with scf after vc-relax   Axel Kohlmeyer
• [Pw_forum] error got by using program pp.x to deal with the input file   Axel Kohlmeyer
• [Pw_forum] error got by using program pp.x to deal with the input file   Axel Kohlmeyer
• [Pw_forum] error got by using program pp.x to deal with the input file   Axel Kohlmeyer
• [Pw_forum] error got by using program pp.x to deal with the input file   Axel Kohlmeyer
• [Pw_forum] Trying to find reasonable parallelization parameters   Axel Kohlmeyer
• [Pw_forum] Trying to find reasonable parallelization parameters   Axel Kohlmeyer
• [Pw_forum] Trying to find reasonable parallelization parameters   Axel Kohlmeyer
• [Pw_forum] Trying to find reasonable parallelization parameters   Axel Kohlmeyer
• [Pw_forum] Trying to find reasonable parallelization parameters   Axel Kohlmeyer
• [Pw_forum] Trying to find reasonable parallelization parameters   Axel Kohlmeyer
• [Pw_forum] Trying to find reasonable parallelization parameters   Axel Kohlmeyer
• [Pw_forum] vc-relax   Axel Kohlmeyer
• [Pw_forum] vc-relax   Axel Kohlmeyer
• [Pw_forum] convergence issues   Axel Kohlmeyer
• [Pw_forum] charge is wrong and system is non-metallic   Axel Kohlmeyer
• [Pw_forum] PW taskgroups and a large run on a BG/P   Axel Kohlmeyer
• [Pw_forum] PW taskgroups and a large run on a BG/P   Axel Kohlmeyer
• [Pw_forum] charge is wrong and system is non-metallic   Axel Kohlmeyer
• [Pw_forum] Hubbard_U and Hubbard_alpha   Jess Kondor
• [Pw_forum] Coordinate system   Dmitry Korotin
• [Pw_forum] Energy of CO Crystal   Amos Leffler
• [Pw_forum] wavefunction coefficients   O. Baris Malcioglu
• [Pw_forum] (no subject)   O. Baris Malcioglu
• [Pw_forum] wavefunction coefficients   O. Baris Malcioglu
• [Pw_forum] inconsistent DFT read   Marci
• [Pw_forum] convergence issues   Miguel Martínez
• [Pw_forum] Projection, convergence and imaginary phonon frequencies   Nicola Marzari
• [Pw_forum] convergence issues   Nicola Marzari
• [Pw_forum] vc_relax convergence criteria   Timothy Mason
• [Pw_forum] vc_relax convergence criteria   Timothy Mason
• [Pw_forum] problem with vc-relax   Timothy Mason
• [Pw_forum] Trying to find reasonable parallelization parameters   Timothy Mason
• [Pw_forum] vc-relax   Timothy Mason
• [Pw_forum] vc-relax   Timothy Mason
• [Pw_forum] How to calculate the Partial Phonon Density Of States ?   Lpmc Med
• [Pw_forum] PDOS   Karoly Nemeth
• [Pw_forum] PDOS   Karoly Nemeth
• [Pw_forum] wavefunction coefficients   Karoly Nemeth
• [Pw_forum] wavefunction coefficients   Karoly Nemeth
• [Pw_forum] wavefunction coefficients   Karoly Nemeth
• [Pw_forum] wavefunction coefficients   Karoly Nemeth
• [Pw_forum] wavefunction coefficients   Karoly Nemeth
• [Pw_forum] wavefunction coefficients   Karoly Nemeth
• [Pw_forum] Pw_forum Digest, Vol 19, Issue 51   Karoly Nemeth
• [Pw_forum] PP by atomic.x   Karoly Nemeth
• [Pw_forum] WFC file record format   Vidur Parkash
• [Pw_forum] Molecular dynamics with change of temperature   Mansoureh Pashangpour
• [Pw_forum] Molecular dynamics with change of temperature   Mansoureh Pashangpour
• [Pw_forum] Doubt in occupations   Padmaja Patnaik
• [Pw_forum] PAW parallel error   Lorenzo Paulatto
• [Pw_forum] question about vc-relax   Lorenzo Paulatto
• [Pw_forum] Problem about "ibrav=7" running scf calculation   Lorenzo Paulatto
• [Pw_forum] from read_namelists : error # 1   Lorenzo Paulatto
• [Pw_forum] wrong path to the pseudo folder   Lorenzo Paulatto
• [Pw_forum] Test   Lorenzo Paulatto
• [Pw_forum] Relax structure after getting the cell relaxation result   Lorenzo Paulatto
• [Pw_forum] Trying to find reasonable parallelization parameters   Lorenzo Paulatto
• [Pw_forum] Trying to find reasonable parallelization parameters   Lorenzo Paulatto
• [Pw_forum] converting pseudopotential   Lorenzo Paulatto
• [Pw_forum] PW taskgroups and a large run on a BG/P   Lorenzo Paulatto
• [Pw_forum] about vc-relax   Sebastijan Peljhan
• [Pw_forum] Dielectric constant with Lyddane-Sachs-Teller relation   TuanAnh Pham
• [Pw_forum] Dielectric constant with Lyddane-Sachs-Teller relation   TuanAnh Pham
• [Pw_forum] the efficiency problem of transmission calculation by pwcond.x   Wang Qinjing
• [Pw_forum] How to use the parameters orbj_in and orbj_fin in calculation in pwcond.x   Wang Qinjing
• [Pw_forum] Fw: How to use the parameters orbj_in and orbj_fin in calculation in pwcond.x   Wang Qinjing
• [Pw_forum] small energy difference in B1 and B2 structure   Bipul Rakshit
• [Pw_forum] question about vc-relax   Bipul Rakshit
• [Pw_forum] question about vc-relax   Bipul Rakshit
• [Pw_forum] about vc-relax   Bipul Rakshit
• [Pw_forum] band gap problem   Bipul Rakshit
• [Pw_forum] Trying to find reasonable parallelization parameters   J. J. Ramsey
• [Pw_forum] Trying to find reasonable parallelization parameters   J. J. Ramsey
• [Pw_forum] Trying to find reasonable parallelization parameters   J. J. Ramsey
• [Pw_forum] Trying to find reasonable parallelization parameters   J. J. Ramsey
• [Pw_forum] Trying to find reasonable parallelization parameters   J. J. Ramsey
• [Pw_forum] 2D electron gas   Reboredo, Fernando A.
• [Pw_forum] calculating U   Naol Regassa
• [Pw_forum] Advice on Electron-Phonon Calculations   Carlos Reis
• [Pw_forum] vdW-df functional   Nichols A. Romero
• [Pw_forum] PW taskgroups and a large run on a BG/P   Nichols A. Romero
• [Pw_forum] PW taskgroups and a large run on a BG/P   Nichols A. Romero
• [Pw_forum] PW taskgroups and a large run on a BG/P   Nichols A. Romero
• [Pw_forum] Different TRC will be obtained for the same system?   Gabriele Sclauzero
• [Pw_forum] K_POINTS, tpiba or crystal   Gabriele Sclauzero
• [Pw_forum] question on optimization   Gabriele Sclauzero
• [Pw_forum] error :kpoint 7 ibnd 17 solve_linter: root not converged NaN   Gabriele Sclauzero
• [Pw_forum] Problem about the inputs of 'dos.x'   Gabriele Sclauzero
• [Pw_forum] How to use the parameters orbj_in and orbj_fin in calculation in pwcond.x   Gabriele Sclauzero
• [Pw_forum] generating pseudopotential problem   Gabriele Sclauzero
• [Pw_forum] wavefunction coefficients   Gabriele Sclauzero
• [Pw_forum] convergence issues   Gabriele Sclauzero
• [Pw_forum] pseudo-potential problem   Gabriele Sclauzero
• [Pw_forum] PAW parallel error   Jelle van Sijl
• [Pw_forum] PAW parallel error   Jelle van Sijl
• [Pw_forum] Transport with pw_cond copper   Alexander Smogunov
• [Pw_forum] How to use the parameters orbj_in and orbj_fin in calculation in pwcond.x   Alexander Smogunov
• [Pw_forum] complex band   Manoj Srivastava
• [Pw_forum] complex band   Manoj Srivastava
• [Pw_forum] Transport with pw_cond copper   Manoj Srivastava
• [Pw_forum] Increase in number of diagonalization errors   Heather Whitley
• [Pw_forum] Can the cp code do MD calculations in NPT ensemble for metals?   Yansun Yao
• [Pw_forum] Want to calculate optical properties within pwscf-dfpt.   Hongsheng Zhao
• [Pw_forum] band gap problem   Huiqun Zhou
• [Pw_forum] TD-DFT   Huiqun Zhou
• [Pw_forum] TD-DFT   Huiqun Zhou
• [Pw_forum] Using wfc with scf after vc-relax   Marino Vetuschi Zuccolini
• [Pw_forum] LDA+U and spilling parameter   Marino Vetuschi Zuccolini
• [Pw_forum] converting pseudopotential   mohaddeseh abbasnejad
• [Pw_forum] vc-relax   hania djani-ait aissa
• [Pw_forum] vc-relax   hania djani-ait aissa
• [Pw_forum] vc-relax   hania djani-ait aissa
• [Pw_forum] How/where to get DISPLACEMENT PATTERN   bayleyegn akane
• [Pw_forum] notification   benamrani ammar
• [Pw_forum] Hubbard_U and Hubbard_alpha   hanghui chen
• [Pw_forum] Hubbard U approach in PWSCF   hanghui chen
• [Pw_forum] wavefunction coefficients   lshulenburger at ciw.edu
• [Pw_forum] wavefunction coefficients   lshulenburger at ciw.edu
• [Pw_forum] Compile error on OS X PPC w/ gfortran   giannozz at democritos.it
• [Pw_forum] supercell calculations with matdyn   giannozz at democritos.it
• [Pw_forum] compound jobs   giannozz at democritos.it
• [Pw_forum] notification   giannozz at democritos.it
• [Pw_forum] supercell calculations with matdyn   giannozz at democritos.it
• [Pw_forum] error got by using program pp.x to deal with the input file   giannozz at democritos.it
• [Pw_forum] wavefunction coefficients   giannozz at democritos.it
• [Pw_forum] convergence issues   giannozz at democritos.it
• [Pw_forum] PW taskgroups and a large run on a BG/P   giannozz at democritos.it
• [Pw_forum] PW taskgroups and a large run on a BG/P   giannozz at democritos.it
• [Pw_forum] PW taskgroups and a large run on a BG/P   giannozz at democritos.it
• [Pw_forum] problem with vc-relax   loc duong ding
• [Pw_forum] problem in vc-relax with c_bands   loc duong ding
• [Pw_forum] problem in vc-relax with c_bands   loc duong ding
• [Pw_forum] problem with vc-relax   loc duong ding
• [Pw_forum] Relax structure after getting the cell relaxation result   loc duong ding
• [Pw_forum] Relax structure after getting the cell   loc duong ding
• [Pw_forum] press_conv_thr value   loc duong ding
• [Pw_forum] generalized Bloch theorem   chu-chun fu
• [Pw_forum] Definition of qfunc in UPF file and the source code realus, f90 and init_us_1.f90   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Definition of qfunc in UPF file and the source code realus, f90 and init_us_1.f90   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] (no subject)   sezginaydin at gazi.edu.tr
• [Pw_forum] charge is wrong   sezginaydin at gazi.edu.tr
• [Pw_forum] elastic constant and bulk modulus   sezginaydin at gazi.edu.tr
• [Pw_forum] Relax structure after getting the cell   j.antonio.montoya at gmail.com
• [Pw_forum] vibrational frequencies   j.antonio.montoya at gmail.com
• [Pw_forum] Problem with average.x   jameslipd at gmail.com
• [Pw_forum] from read_namelists : error # 1   lan haiping
• [Pw_forum] Problem with average.x   lan haiping
• [Pw_forum] "ibrav=7"   lan haiping
• [Pw_forum] problem in vc-relax with c_bands   lan haiping
• [Pw_forum] Molecular dynamics with change of temperature   lan haiping
• [Pw_forum] vibrational frequencies   lan haiping
• [Pw_forum] k grid   ali kazempoor
• [Pw_forum] How to understand the intermolecular force between water molecules calculated by PWSCF   vega lew
• [Pw_forum] a question for projwfc.x   vega lew
• [Pw_forum] a question for projwfc.x   vega lew
• [Pw_forum] questions about population analysis and bonding charge density   vega lew
• [Pw_forum] Problem about the inputs of 'dos.x'   vega lew
• [Pw_forum] something about Pt.pw91-n-van.UPF   vega lew
• [Pw_forum] cell_dofree = volume not yet implemented   lzh-ming
• [Pw_forum] cell_dofree = volume not yet implemented   lzh-ming
• [Pw_forum] header intact   Gratian macharaga
• [Pw_forum] supercell calculations with matdyn   merlin meheut
• [Pw_forum] supercell calculations with matdyn   merlin meheut
• [Pw_forum] supercell calculations with matdyn   merlin meheut
• [Pw_forum] phonon calculation crashes   merlin meheut
• [Pw_forum] supercell calculations with matdyn   merlin meheut
• [Pw_forum] Request QHA code   mazouz moulay
• [Pw_forum] generating pseudopotential problem   premlata pandit
• [Pw_forum] generating pseudopotential problem   premlata pandit
• [Pw_forum] pseudo-potential problem   premlata pandit
• [Pw_forum] pseudo-potential problem   premlata pandit
• [Pw_forum] electron-phonon coefficients   penghua
• [Pw_forum] electron-phonon coefficients   penghua
• [Pw_forum] spin glass calculation by first principle method   yumin qian
• [Pw_forum] spin glass calculation by first principle method   yumin qian
• [Pw_forum] relaxation problem on IBM bluegene machine   pushpa raghani
• [Pw_forum] relaxation problem on IBM bluegene machine   pushpa raghani
• [Pw_forum] TD-DFT   dario rocca
• [Pw_forum] the efficiency problem of transmission calculation by pwcond.x   alexandr smogunov
• [Pw_forum] TD-DFT   anna.ferrari at unito.it
• [Pw_forum] TD-DFT   anna.ferrari at unito.it
• [Pw_forum] a question of el-ph calculation   wangjunjie1981_0
• [Pw_forum] error :kpoint 7 ibnd 17 solve_linter: root not converged NaN   xu yuehua
• [Pw_forum] Generating pseudo potentials containing GIPAW datas   鈴木　不律
• [Pw_forum] How to configure "MPI_LIB=" in make.sys ?   杨茂
• [Pw_forum] Problem about "ibrav=7" running scf calculation   潘登
• [Pw_forum] Problem about "ibrav=7" running scf calculation   潘登
• [Pw_forum] What are 'forrtl: severe (59):' means   潘登
• [Pw_forum] What are 'forrtl: severe (59):' means   潘登
• [Pw_forum] "ibrav=7"   潘登
• [Pw_forum] "ibrav=7"   潘登
• [Pw_forum] inconsistent DFT read   潘登
• [Pw_forum] Problem about the inputs of 'dos.x'   潘登

Last message date: Sat Jan 31 20:12:22 CET 2009
Archived on: Wed Feb 28 11:03:59 CET 2018

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