May 2009 Archives by author

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Starting: Fri May 1 07:50:56 CEST 2009
Ending: Sun May 31 23:18:26 CEST 2009
Messages: 339

• [Pw_forum] Format of dynamical matrices   Raji Abdulrafiu
• [Pw_forum] question about elphonon calculation   Mozahar Ali
• [Pw_forum] Electron-Phonon: loading dVscf file when ldisp=.TRUE.   Dal Corso Andrea
• [Pw_forum] Coordinate transorms: Crystal to Cartesian and back   Dal Corso Andrea
• [Pw_forum] van der waals force   Mehrnaz Anvari
• [Pw_forum] van der waals force   Mehrnaz Anvari
• [Pw_forum] van der waals force   Mehrnaz Anvari
• [Pw_forum] van der waals force   Mehrnaz Anvari
• [Pw_forum] VdM force   Mehrnaz Anvari
• [Pw_forum] choosing ecutwfc through vc-rx   Mehrnaz Anvari
• [Pw_forum] Conjugate Gradient minimization not converged after 50 iterations   Jonas Baltrusaitis
• [Pw_forum] DOS virtual band calculations   Jonas Baltrusaitis
• [Pw_forum] DOS virtual band calculations   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] submits jobs to node already in use   Jonas Baltrusaitis
• [Pw_forum] submits jobs to node already in use   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] dos   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] monoclinic cell definition question   Jonas Baltrusaitis
• [Pw_forum] DOS virtual band calculations   Stefano Baroni
• [Pw_forum] dos   Stefano Baroni
• [Pw_forum] dos   Stefano Baroni
• [Pw_forum] dos   Stefano Baroni
• [Pw_forum] vc-relax   Stefano Baroni
• [Pw_forum] dos   Stefano Baroni
• [Pw_forum] dos   Stefano Baroni
• [Pw_forum] dos   Stefano Baroni
• [Pw_forum] dos   Stefano Baroni
• [Pw_forum] Hartree-Fock calculation   Stefano Baroni
• [Pw_forum] elastic properties of orthorhombic structure   Stefano Baroni
• [Pw_forum] Optical phonon convergence at Gamma-point   Stefano Baroni
• [Pw_forum] Coordinate transorms: Crystal to Cartesian and back   Stefano Baroni
• [Pw_forum] pseudopotentials   Stefano Baroni
• [Pw_forum] inhomogeneous K-point sampling   Stefano Baroni
• [Pw_forum] inhomogeneous K-point sampling   Stefano Baroni
• [Pw_forum] dos   Cyrille Barreteau
• [Pw_forum] DOS virtual band calculations   Somesh Kumar Bhattacharya
• [Pw_forum] unitary matrix u   Kostyantyn Borysenko
• [Pw_forum] Coordinate transorms: Crystal to Cartesian and back   Kostyantyn Borysenko
• [Pw_forum] Coordinate transorms: Crystal to Cartesian and back   Kostyantyn Borysenko
• [Pw_forum] Re: Coordinate transorms: Crystal to Cartesian and back (Dal Corso Andrea)   Kostyantyn Borysenko
• [Pw_forum] Coordinate transorms: Crystal to Cartesian and back   Kostyantyn Borysenko
• [Pw_forum] Format of dynamical matrices   Cristian Degli Esposti Boschi
• [Pw_forum] Format of dynamical matrices   Cristian Degli Esposti Boschi
• [Pw_forum] Installing QE 4.0.5 on Mac Pro   Cristian Degli Esposti Boschi
• [Pw_forum] Installing QE 4.0.5 on Mac Pro   Cristian Degli Esposti Boschi
• [Pw_forum] Installing QE 4.0.5 on Mac Pro   Cristian Degli Esposti Boschi
• [Pw_forum] run PWscf on national grid service in UK   Pieremanuele Canepa
• [Pw_forum] DFT +U difficult compiling comp_resp_mat.j   Pieremanuele Canepa
• [Pw_forum] DFT +U difficult compiling comp_resp_mat.j   Pieremanuele Canepa
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   Pieremanuele Canepa
• [Pw_forum] input for resp_mat.x in to optimize the U for LDA+U calculations   Pieremanuele Canepa
• [Pw_forum] Band Structure/graphene   Giovanni Cantele
• [Pw_forum] ion relaxation   Giovanni Cantele
• [Pw_forum] scf calculation   Giovanni Cantele
• [Pw_forum] pseudopotentials   Chao Cao
• [Pw_forum] pseudopotentials   Chao Cao
• [Pw_forum] pseudopotentials   Chao Cao
• [Pw_forum] dos   Davide Ceresoli
• [Pw_forum] atom occupied factor   Javier Camarillo Cisneros
• [Pw_forum] about atom occupied factor   Javier Camarillo Cisneros
• [Pw_forum] about atom occupied factor   Javier Camarillo Cisneros
• [Pw_forum] RE : dos   BARRETEAU Cyrille
• [Pw_forum] structure optimization with LDA+U   Jun Dai
• [Pw_forum] structure optimization with LDA+U   Jun Dai
• [Pw_forum] structure optimization with LDA+U   Jun Dai
• [Pw_forum] Documentation on El-Ph coupling   DdrSmiLe
• [Pw_forum] Documentation on El-Ph coupling   DdrSmiLe
• [Pw_forum] Documentation on El-Ph coupling   DdrSmiLe
• [Pw_forum] Question about wavefunction, reciporcal lattice and elphon matrix   DdrSmiLe
• [Pw_forum] Question about wavefunction, reciporcal lattice and elphon matrix   DdrSmiLe
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   Hou Dong
• [Pw_forum] Fermi energy   Andrea Ferretti
• [Pw_forum] monoclinic cell definition question   Xenia Filip
• [Pw_forum] Empirical van-der-waals correction   Daniel Forrer
• [Pw_forum] van der waals force   Daniel Forrer
• [Pw_forum] dos   Prasenjit Ghosh
• [Pw_forum] dos   Prasenjit Ghosh
• [Pw_forum] phonon calculation for large system   Paolo Giannozzi
• [Pw_forum] Conjugate Gradient minimization not converged after 50 iterations   Paolo Giannozzi
• [Pw_forum] dos   Paolo Giannozzi
• [Pw_forum] Quantum Espresso   Paolo Giannozzi
• [Pw_forum] Optical phonon convergence at Gamma-point   Paolo Giannozzi
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   Paolo Giannozzi
• [Pw_forum] CONSTRAINT card   Paolo Giannozzi
• [Pw_forum] Installing QE 4.0.5 on Mac Pro   Paolo Giannozzi
• [Pw_forum] Compilation Error on BlueGene/L   Paolo Giannozzi
• [Pw_forum] about atom occupied factor   Paolo Giannozzi
• [Pw_forum] DOS virtual band calculations   Stefano de Gironcoli
• [Pw_forum] Virtual crystal approximation?   Stefano de Gironcoli
• [Pw_forum] vc-relax   Stefano de Gironcoli
• [Pw_forum] Format of dynamical matrices   Stefano de Gironcoli
• [Pw_forum] QE 4.0.5 pseudopotencials   Stefano de Gironcoli
• [Pw_forum] Format of dynamical matrices   Stefano de Gironcoli
• [Pw_forum] Hartree-Fock calculation   Stefano de Gironcoli
• [Pw_forum] deguss   Stefano de Gironcoli
• [Pw_forum] SCF correction problem in relaxation   Jhon W. González
• [Pw_forum] pseudopotentials   Sanjeev K. Gupta
• [Pw_forum] Saving the ion velocities   Laura Henderson
• [Pw_forum] Documentation on El-Ph coupling   Eyvaz Isaev
• [Pw_forum] Documentation on El-Ph coupling   Eyvaz Isaev
• [Pw_forum] Documentation on El-Ph coupling   Eyvaz Isaev
• [Pw_forum] Documentation on El-Ph coupling   Eyvaz Isaev
• [Pw_forum] elastic properties of orthorhombic structure   Eyvaz Isaev
• [Pw_forum] elastic properties of orthorhombic structure   Eyvaz Isaev
• [Pw_forum] question about elphonon calculation   Eyvaz Isaev
• [Pw_forum] lambda.f90   Eyvaz Isaev
• [Pw_forum] Install PWSCF   Eyvaz Isaev
• [Pw_forum] wrong record length   Ary Junior
• [Pw_forum] dos   Lex Kemper
• [Pw_forum] periodic boundary condition   Lex Kemper
• [Pw_forum] Compilation issue (phenom II and ACML)   Axel Kohlmeyer
• [Pw_forum] dos   Axel Kohlmeyer
• [Pw_forum] submits jobs to node already in use   Axel Kohlmeyer
• [Pw_forum] submits jobs to node already in use   Axel Kohlmeyer
• [Pw_forum] Empirical van-der-waals correction   Axel Kohlmeyer
• [Pw_forum] Compilation issue (phenom II and ACML)   Axel Kohlmeyer
• [Pw_forum] OpenMPI or not?   Axel Kohlmeyer
• [Pw_forum] dos   Axel Kohlmeyer
• [Pw_forum] dos   Axel Kohlmeyer
• [Pw_forum] dos   Axel Kohlmeyer
• [Pw_forum] dos   Axel Kohlmeyer
• [Pw_forum] QE 4.0.5 pseudopotencials   Axel Kohlmeyer
• [Pw_forum] periodic boundary condition   Axel Kohlmeyer
• [Pw_forum] Hartree-Fock calculation   Axel Kohlmeyer
• [Pw_forum] Hartree-Fock calculation   Axel Kohlmeyer
• [Pw_forum] Doubt in magnetic behaviour   Axel Kohlmeyer
• [Pw_forum] stack smashing error   Axel Kohlmeyer
• [Pw_forum] van der waals force   Axel Kohlmeyer
• [Pw_forum] The scf can't converge   Axel Kohlmeyer
• [Pw_forum] The scf can't converge   Axel Kohlmeyer
• [Pw_forum] van der waals force   Axel Kohlmeyer
• [Pw_forum] van der waals force   Axel Kohlmeyer
• [Pw_forum] K points in scf calculation   Axel Kohlmeyer
• [Pw_forum] DFT +U difficult compiling comp_resp_mat.j   Axel Kohlmeyer
• [Pw_forum] van der waals force   Axel Kohlmeyer
• [Pw_forum] Optical phonon convergence at Gamma-point   Axel Kohlmeyer
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   Axel Kohlmeyer
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   Axel Kohlmeyer
• [Pw_forum] temperature   Axel Kohlmeyer
• [Pw_forum] Installing QE 4.0.5 on Mac Pro   Axel Kohlmeyer
• [Pw_forum] wrong record length   Axel Kohlmeyer
• [Pw_forum] choosing ecutwfc through vc-rx   Axel Kohlmeyer
• [Pw_forum] inhomogeneous K-point sampling   Aritz Leonardo Liceranzu
• [Pw_forum] inhomogeneous K-point sampling   Aritz Leonardo Liceranzu
• [Pw_forum] Electron-Phonon: loading dVscf file when ldisp=.TRUE.   Andrea Marini
• [Pw_forum] Electron-Phonon: loading dVscf file when ldisp=.TRUE.   Andrea Marini
• [Pw_forum] dos   Nicola Marzari
• [Pw_forum] van der waals force   Nicola Marzari
• [Pw_forum] inhomogeneous K-point sampling   Nicola Marzari
• [Pw_forum] deguss   Nicola Marzari
• [Pw_forum] Doubt in magnetic behaviour   Giuseppe Mattioli
• [Pw_forum] structure optimization with LDA+U   Giuseppe Mattioli
• [Pw_forum] Doubt in magnetic behaviour   Giuseppe Mattioli
• [Pw_forum] K points in scf calculation   Giuseppe Mattioli
• [Pw_forum] LSDA+U bandstructure   Giuseppe Mattioli
• [Pw_forum] monoclinic cell definition question   Michael Mehl
• [Pw_forum] monoclinic cell definition question   Michael Mehl
• [Pw_forum] QE 4.0.5 pseudopotencials   Karoly Nemeth
• [Pw_forum] QE 4.0.5 pseudopotencials   Karoly Nemeth
• [Pw_forum] Pw_forum Digest, Vol 23, Issue 23   Karoly Nemeth
• [Pw_forum] QE 4.0.5 pseudopotencials   Karoly Nemeth
• [Pw_forum] QE 4.0.5 pseudopotencials   Karoly Nemeth
• [Pw_forum] QE 4.0.5 pseudopotencials   Carlo Nervi
• [Pw_forum] Optical phonon convergence at Gamma-point   Sophia Nishad
• [Pw_forum] Optical phonon convergence at Gamma-point   Sophia Nishad
• [Pw_forum] Optical phonon convergence at Gamma-point   Sophia Nishad
• [Pw_forum] Optical phonon convergence at Gamma-point   Sophia Nishad
• [Pw_forum] gamma phonongs for alloys   Sophia Nishad
• [Pw_forum] Compilation Error on BlueGene/L   Raj Pandey
• [Pw_forum] GGA functional   Mansoureh Pashangpour
• [Pw_forum] Extracting the kinetic energy from the one-electron contribution   Passerone, Daniele
• [Pw_forum] Re: Extracting the kinetic energy from the one-electron contribution   Passerone, Daniele
• [Pw_forum] Re: Extracting the kinetic energy from the one-electron contribution   Passerone, Daniele
• [Pw_forum] Doubt in magnetic behaviour   Padmaja Patnaik
• [Pw_forum] Doubt in magnetic behaviour   Padmaja Patnaik
• [Pw_forum] charge density units?   Lorenzo Paulatto
• [Pw_forum] bulk module (orthorhombic)   Lorenzo Paulatto
• [Pw_forum] dos   Lorenzo Paulatto
• [Pw_forum] bonding charge density.   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 23, Issue 11   Lorenzo Paulatto
• [Pw_forum] submits jobs to node already in use   Lorenzo Paulatto
• [Pw_forum] GGA functional   Lorenzo Paulatto
• [Pw_forum] Documentation on El-Ph coupling   Lorenzo Paulatto
• [Pw_forum] Documentation on El-Ph coupling   Lorenzo Paulatto
• [Pw_forum] Compilation issue (phenom II and ACML)   Lorenzo Paulatto
• [Pw_forum] dos   Lorenzo Paulatto
• [Pw_forum] QE 4.0.5 pseudopotencials   Lorenzo Paulatto
• [Pw_forum] monoclinic cell definition question   Lorenzo Paulatto
• [Pw_forum] monoclinic cell definition question   Lorenzo Paulatto
• [Pw_forum] monoclinic cell definition question   Lorenzo Paulatto
• [Pw_forum] run PWscf on national grid service in UK   Lorenzo Paulatto
• [Pw_forum] run PWscf on national grid service in UK   Lorenzo Paulatto
• [Pw_forum] van der waals force   Lorenzo Paulatto
• [Pw_forum] The scf can't converge   Lorenzo Paulatto
• [Pw_forum] The scf can't converge   Lorenzo Paulatto
• [Pw_forum] Extracting the kinetic energy from the one-electron contribution   Lorenzo Paulatto
• [Pw_forum] Extracting the kinetic energy from the one-electron contribution   Lorenzo Paulatto
• [Pw_forum] k and q points   Lorenzo Paulatto
• [Pw_forum] Install PWSCF   Lorenzo Paulatto
• [Pw_forum] s_psi_nc_   Lorenzo Paulatto
• [Pw_forum] s_psi_nc_ (Lorenzo Paulatto)45   Lorenzo Paulatto
• [Pw_forum] Extracting the kinetic energy from the one-electron contribution   Lorenzo Paulatto
• [Pw_forum] Question about wavefunction, reciporcal lattice and elphon matrix   Lorenzo Paulatto
• [Pw_forum] Question about wavefunction, reciporcal lattice and elphon matrix   Lorenzo Paulatto
• [Pw_forum] CONSTRAINT card   Lorenzo Paulatto
• [Pw_forum] van der waals force   Lorenzo Paulatto
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   Lorenzo Paulatto
• [Pw_forum] Fermi energy   Lorenzo Paulatto
• [Pw_forum] SCF correction problem in relaxation   Lorenzo Paulatto
• [Pw_forum] VdM force   Lorenzo Paulatto
• [Pw_forum] choosing ecutwfc through vc-rx   Lorenzo Paulatto
• [Pw_forum] Time of phonon calculation   TuanAnh Pham
• [Pw_forum] CONSTRAINT card   Vivek Ranjan
• [Pw_forum] Hubbard U and small degauss ...   Naol Regassa
• [Pw_forum] Re hubbard U and stable structure   Naol Regassa
• [Pw_forum] Quantum Espresso   Apu Sarkar
• [Pw_forum] Quantum Espresso   Gabriele Sclauzero
• [Pw_forum] Quantum Espresso   Gabriele Sclauzero
• [Pw_forum] dos   Gabriele Sclauzero
• [Pw_forum] bonding charge density.   Gabriele Sclauzero
• [Pw_forum] dos   Gabriele Sclauzero
• [Pw_forum] charge density plots.   Gabriele Sclauzero
• [Pw_forum] ion relaxation   Gabriele Sclauzero
• [Pw_forum] Using q point parallelization   Gabriele Sclauzero
• [Pw_forum] structure optimization with LDA+U   Gabriele Sclauzero
• [Pw_forum] Time of phonon calculation   Gabriele Sclauzero
• [Pw_forum] Hubbard U and small degauss ...   Gabriele Sclauzero
• [Pw_forum] Re hubbard U and stable structure   Gabriele Sclauzero
• [Pw_forum] Installing QE 4.0.5 on Mac Pro   Gabriele Sclauzero
• [Pw_forum] CONSTRAINT card   Gabriele Sclauzero
• [Pw_forum] Coordinate transorms: Crystal to Cartesian and back   Gabriele Sclauzero
• [Pw_forum] Coordinate transorms: Crystal to Cartesian and back   Gabriele Sclauzero
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   Gabriele Sclauzero
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   Gabriele Sclauzero
• [Pw_forum] pseudopotentials   Gabriele Sclauzero
• [Pw_forum] scf calculation   Gabriele Sclauzero
• [Pw_forum] Hello, everybody, questions about the calculation about the rare earth material Dy   Gabriele Sclauzero
• [Pw_forum] Molybdenum pseudopotentials   Gabriele Sclauzero
• [Pw_forum] Installing QE 4.0.5 on Mac Pro   Gabriele Sclauzero
• [Pw_forum] LSDA+U phonons   Gabriele Sclauzero
• [Pw_forum] LSDA+U bandstructure   Gabriele Sclauzero
• [Pw_forum] Installing QE 4.0.5 on Mac Pro   Gabriele Sclauzero
• [Pw_forum] K points in scf calculation   Dimpy Sharma
• [Pw_forum] scf calculation   Dimpy Sharma
• [Pw_forum] transmission calculation   Manoj Srivastava
• [Pw_forum] k and q points   Ali Tavana
• [Pw_forum] LSDA+U bandstructure   Ali Tavana
• [Pw_forum] LSDA+U phonons   Ali Tavana
• [Pw_forum] Pw_forum Digest, Vol 23, Issue 64   Ali Tavana
• [Pw_forum] (no subject)   Ali Tavana
• [Pw_forum] How does the damped ion dynamics work?   Tim Teatro
• [Pw_forum] Saving the ion velocities   Antonio Tilocca
• [Pw_forum] Documentation on El-Ph coupling   David Tompsett
• [Pw_forum] Documentation on El-Ph coupling   David Tompsett
• [Pw_forum] charge density units?   K V Vamsi
• [Pw_forum] bonding charge density.   K V Vamsi
• [Pw_forum] Pw_forum Digest, Vol 23, Issue 11   K V Vamsi
• [Pw_forum] charge density plots.   K V Vamsi
• [Pw_forum] Compilation issue (phenom II and ACML)   Vit
• [Pw_forum] OpenMPI or not?   Vit
• [Pw_forum] Compilation issue (phenom II and ACML)   Vit
• [Pw_forum] van der waals force (Mehrnaz Anvarir)   Andrea Vittadini
• [Pw_forum] Time of phonon calculation   Ruslan S. Yagufarov
• [Pw_forum] Using q point parallelization   Huiqun Zhou
• [Pw_forum] Coordinate transorms: Crystal to Cartesian and back   Huiqun Zhou
• [Pw_forum] periodic boundary condition   mohaddeseh abbasnejad
• [Pw_forum] ion relaxation   mohaddeseh abbasnejad
• [Pw_forum] Hartree-Fock calculation   mohaddeseh abbasnejad
• [Pw_forum] Hartree-Fock calculation   mohaddeseh abbasnejad
• [Pw_forum] s_psi_nc_   clie
• [Pw_forum] s_psi_nc_ (Lorenzo Paulatto)45   clie
• [Pw_forum] will mixing_beta affect the calculation result?   duchl06
• [Pw_forum] stack smashing error   marc at fq.edu.uy
• [Pw_forum] stack smashing error   marc at fq.edu.uy
• [Pw_forum] elastic properties of orthorhombic structure   kada galami
• [Pw_forum] elastic properties of orthorhombic structure   kada galami
• [Pw_forum] problem with installing Quantum ESPRESSO CVS version   shruba at gmail.com
• [Pw_forum] about atom occupied factor   lan haiping
• [Pw_forum] Band Structure/graphene   nazari at iasbs.ac.ir
• [Pw_forum] vc-relax   ali kazempoor
• [Pw_forum] temperature   ali kazempoor
• [Pw_forum] run PWscf on national grid service in UK   pc229 at kent.ac.uk
• [Pw_forum] run PWscf on national grid service in UK   pc229 at kent.ac.uk
• [Pw_forum] DFT +U difficult compiling comp_resp_mat.j   pc229 at kent.ac.uk
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   pc229 at kent.ac.uk
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   pc229 at kent.ac.uk
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   pc229 at kent.ac.uk
• [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U   pc229 at kent.ac.uk
• [Pw_forum] input for resp_mat.x in to optimize the U for LDA+U calculations   pc229 at kent.ac.uk
• [Pw_forum] input for resp_mat.x in to optimize the U for LDA+U calculations   pc229 at kent.ac.uk
• [Pw_forum] dos   yaldaa kh
• [Pw_forum] dos   yaldaa kh
• [Pw_forum] dos   yaldaa kh
• [Pw_forum] dos   yaldaa kh
• [Pw_forum] deguss   yaldaa kh
• [Pw_forum] question about the format of gam.lines generated by matdyn.x   mat
• [Pw_forum] question about the format of gam.lines generated by matdyn.x   mat
• [Pw_forum] Molybdenum pseudopotentials   isaac motochi
• [Pw_forum] Molybdenum pseudopotentials   isaac motochi
• [Pw_forum] Is 'stm_wfc_matching' option operational?   pushpa raghani
• [Pw_forum] bulk module (orthorhombic)   meghdad saeedian
• [Pw_forum] Install PWSCF   leila salimi
• [Pw_forum] input for resp_mat.x in to optimize the U for LDA+U calculations   matteo at umn.edu
• [Pw_forum] The scf can't converge   wangwei
• [Pw_forum] Empirical van-der-waals correction   yuning wu
• [Pw_forum] Using q point parallelization   zq wu
• [Pw_forum] how to control Berry Phase convergence   xylnew
• [Pw_forum] monoclinic cell definition question   jasius_1 at yahoo.com
• [Pw_forum] no frequency and mode symmetry output in case.phG.out   wangweiphysics at yahoo.com.cn
• [Pw_forum] The scf can't converge   wangweiphysics at yahoo.com.cn
• [Pw_forum] Questions about nscf calculation   孙阳
• [Pw_forum] Fermi energy   孙阳
• [Pw_forum] Dear all,Does anybody calculate Dysprosium?   文沈
• [Pw_forum] Hello, everybody, questions about the calculation about the rare earth material Dy   文沈
• [Pw_forum] no frequency and mode symmetry output in case.phG.out   潘登
• [Pw_forum] Time of phonon calculation   潘登
• [Pw_forum] question about elphonon calculation   潘登
• [Pw_forum] problem about DeltaVscf file missing   潘登
• [Pw_forum] Optical phonon convergence at Gamma-point   潘登
• [Pw_forum] bulk module (orthorhombic)   程迎春
• [Pw_forum] How to do vc-relax in CP code?   程迎春
• [Pw_forum] QE 4.0.5 pseudopotencials   程迎春
• [Pw_forum] Time of phonon calculation   程迎春

Last message date: Sun May 31 23:18:26 CEST 2009
Archived on: Wed Feb 28 11:04:01 CET 2018

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