October 2009 Archives by author
Starting: Thu Oct 1 08:52:20 CEST 2009
Ending: Sat Oct 31 10:46:03 CET 2009
Messages: 374
- [Pw_forum] Relaxation of low symmetry lattices
Dal Corso Andrea
- [Pw_forum] forum searching
Mehrnaz Anvari
- [Pw_forum] about elph calculations
Mehrnaz Anvari
- [Pw_forum] umklapp part in elph calculations
Mehrnaz Anvari
- [Pw_forum] Espresso-4.1 failing to compile
Sangamesh B
- [Pw_forum] epsilon.x uniaxial material
Silvia Bakalova
- [Pw_forum] energy-degenerate states with different irrep labels
Silvia Bakalova
- [Pw_forum] energy-degenerate states with different irrep labels
Silvia Bakalova
- [Pw_forum] energy-degenerate states with different irrep labels
Silvia Bakalova
- [Pw_forum] (no subject)
Stefano Baroni
- [Pw_forum] Band structure calculation
Stefano Baroni
- [Pw_forum] IR
Stefano Baroni
- [Pw_forum] Relaxation of low symmetry lattices
Stefano Baroni
- [Pw_forum] Relaxation of low symmetry lattices
Stefano Baroni
- [Pw_forum] Reference for Fock Exchange Minimization Scheme?
Stefano Baroni
- [Pw_forum] k points in epsilon.x
Stefano Baroni
- [Pw_forum] k points in epsilon.x
Stefano Baroni
- [Pw_forum] Calculating projected density of states
Stefano Baroni
- [Pw_forum] How to calculate the isotope effect
Stefano Baroni
- [Pw_forum] partial phonon density of state
Stefano Baroni
- [Pw_forum] How to generate a pp which is 3/4 of itself using virtual.x
Stefano Baroni
- [Pw_forum] How to generate a pp which is 3/4 of itself using virtual.x
Stefano Baroni
- [Pw_forum] gap in the phonon DOS
Stefano Baroni
- [Pw_forum] IR
Somesh Kumar Bhattacharya
- [Pw_forum] MKL 10.2 not recognized by configure script / Xeon=amd64?
Goranka Bilalbegovic
- [Pw_forum] Use of Pseudo potential for functional blyp in the calculation with B3LYP functional
Luciano C.
- [Pw_forum] How dose the restart work?
Pieremanuele Canepa
- [Pw_forum] openmpi 1.3.3
Giovanni Cantele
- [Pw_forum] error in atomic coordinates
Giovanni Cantele
- [Pw_forum] calculating equilibrium lattice constant
Giovanni Cantele
- [Pw_forum] convergence problems using GIPAW
Davide Ceresoli
- [Pw_forum] use cvs
Chen, Zhifan
- [Pw_forum] use cvs
Chen, Zhifan
- [Pw_forum] c60
Chen, Zhifan
- [Pw_forum] How to consider more valence electrons in Pseudopotentials?
Jiayu Dai
- [Pw_forum] How to consider more valence electrons inPseudopotentials?
Jiayu Dai
- [Pw_forum] PPs of Aluminum using ld1 code(including 11 valence electrons)
Jiayu Dai
- [Pw_forum] PPs of Aluminum using ld1 code(including 11 valenceelectrons)
Jiayu Dai
- [Pw_forum] mixing_mode: "local-TF" and "TF".
Jiayu Dai
- [Pw_forum] How to generate a pp which is 3/4 of itself using virtual.x
Jun Dai
- [Pw_forum] How to generate a pp which is 3/4 of itself using virtual.x
Jun Dai
- [Pw_forum] How to generate a pp which is 3/4 of itself using virtual.x
Jun Dai
- [Pw_forum] About the input file for matdyn.x
Reza Ebraahimi
- [Pw_forum] gap in the phonon DOS
Reza Ebraahimi
- [Pw_forum] gap in the phonon DOS
Reza Ebraahimi
- [Pw_forum] About Debye Temp.
Reza Ebraahimi
- [Pw_forum] how to use startingpot for different ecutwfc?
Ricardo Faccio
- [Pw_forum] epsilon.x uniaxial material
Andrea Ferretti
- [Pw_forum] k points in epsilon.x
Andrea Ferretti
- [Pw_forum] Lowdin charge
Andrea Ferretti
- [Pw_forum] bug in mm_dispersion.f90
Daniel Forrer
- [Pw_forum] "cannot open xml_recover file for writing"
Prasenjit Ghosh
- [Pw_forum] plane averaged local potential
Prasenjit Ghosh
- [Pw_forum] bug in mm_dispersion.f90
Paolo Giannozzi
- [Pw_forum] how to build cell for diamagnetic material?
Paolo Giannozzi
- [Pw_forum] Error building q-e 4.1 with Ubuntu 9.10 beta
Paolo Giannozzi
- [Pw_forum] openmpi 1.3.3
Paolo Giannozzi
- [Pw_forum] openmpi 1.3.3
Paolo Giannozzi
- [Pw_forum] Tips for vc-relax when far from equilibrium
Paolo Giannozzi
- [Pw_forum] phonon errors
Paolo Giannozzi
- [Pw_forum] Use of Pseudo potential for functional blyp in the calculation with B3LYP functional
Paolo Giannozzi
- [Pw_forum] Relax calculation not converging
Paolo Giannozzi
- [Pw_forum] Relax calculation not converging
Paolo Giannozzi
- [Pw_forum] use cvs
Paolo Giannozzi
- [Pw_forum] What is the meaning of dipfield=.true. ?
Paolo Giannozzi
- [Pw_forum] use cvs
Paolo Giannozzi
- [Pw_forum] Lowdin charge
Paolo Giannozzi
- [Pw_forum] Questions on phonon calculation in Example02 and 06
Paolo Giannozzi
- [Pw_forum] Pw_forum Digest, Vol 28, Issue 38
Paolo Giannozzi
- [Pw_forum] How to calculate the isotope effect
Paolo Giannozzi
- [Pw_forum] MKL 10.2 not recognized by configure script / Xeon=amd64?
Paolo Giannozzi
- [Pw_forum] Could Q-E benefit a lot from GPU computation.
Paolo Giannozzi
- [Pw_forum] Cr GGA potential is underestimating the cohesive energy.
Paolo Giannozzi
- [Pw_forum] How to generate a pp which is 3/4 of itself using virtual.x
Paolo Giannozzi
- [Pw_forum] "cannot open xml_recover file for writing"
Paolo Giannozzi
- [Pw_forum] Problem on compiling pwscf
Paolo Giannozzi
- [Pw_forum] "cannot open xml_recover file for writing"
Paolo Giannozzi
- [Pw_forum] lelfield
Paolo Giannozzi
- [Pw_forum] Problem on compiling pwscf
Paolo Giannozzi
- [Pw_forum] check on starting_magnetization
Paolo Giannozzi
- [Pw_forum] Missing Wannier90 in Q-E 4.1.1?
Paolo Giannozzi
- [Pw_forum] problems calculating large numbers of empty states
Paolo Giannozzi
- [Pw_forum] problems calculating large numbers of empty states
Paolo Giannozzi
- [Pw_forum] electronic-phonon coupling error
Paolo Giannozzi
- [Pw_forum] Espresso-4.1 failing to compile
Paolo Giannozzi
- [Pw_forum] electronic-phonon coupling error
Paolo Giannozzi
- [Pw_forum] PPs of Aluminum using ld1 code(including 11 valence electrons)
Paolo Giannozzi
- [Pw_forum] PPs of Aluminum using ld1 code(including 11 valence electrons)
Paolo Giannozzi
- [Pw_forum] pair correlation function and the choice of fnosep
Paolo Giannozzi
- [Pw_forum] mixing_mode: "local-TF" and "TF".
Paolo Giannozzi
- [Pw_forum] About gaussian cubic format
Paolo Giannozzi
- [Pw_forum] About gaussian cubic format
Paolo Giannozzi
- [Pw_forum] About gaussian cubic format
Paolo Giannozzi
- [Pw_forum] Tetrahedra method
Paolo Giannozzi
- [Pw_forum] Band structure calculation
Stefano de Gironcoli
- [Pw_forum] Wavefunction projections
Stefano de Gironcoli
- [Pw_forum] Reference for Fock Exchange Minimization Scheme?
Stefano de Gironcoli
- [Pw_forum] Could Q-E benefit a lot from GPU computation.
Stefano de Gironcoli
- [Pw_forum] vc-relax bug?
Stefano de Gironcoli
- [Pw_forum] Looking for Manganse pseudopotential
Christian Santiago Helman
- [Pw_forum] lelfield
Jiri Houska
- [Pw_forum] lelfield
Jiri Houska
- [Pw_forum] lelfield
Jiri Houska
- [Pw_forum] Relax calculation not converging
Mighfar Imam
- [Pw_forum] phonon errors (vtmtrinh at caltech.edu)
Eyvaz Isaev
- [Pw_forum] partial phonon density of state
Eyvaz Isaev
- [Pw_forum] How to generate a pp which is 3/4 of itself using virtual.x
Eyvaz Isaev
- [Pw_forum] gap in the phonon DOS
Eyvaz Isaev
- [Pw_forum] gap in the phonon DOS
Eyvaz Isaev
- [Pw_forum] Problem on compiling pwscf
JAY
- [Pw_forum] Problem on compiling pwscf
JAY
- [Pw_forum] Problem on compiling pwscf
JAY
- [Pw_forum] Pw_forum Digest, Vol 28, Issue 58Re: Problem on compiling pwscf
JAY
- [Pw_forum] Relax calculation not converging
Ary Junior
- [Pw_forum] Wavefunction projections
Lex Kemper
- [Pw_forum] About gaussian cubic format
Tone Kokalj
- [Pw_forum] About gaussian cubic format
Tone Kokalj
- [Pw_forum] About gaussian cubic format
Tone Kokalj
- [Pw_forum] nothing is written to the output file
Hong LI
- [Pw_forum] how to build cell for diamagnetic material?
Duy Le
- [Pw_forum] how to build cell for diamagnetic material?
Duy Le
- [Pw_forum] Information on new release
Duy Le
- [Pw_forum] Relaxation of low symmetry lattices
Duy Le
- [Pw_forum] Use of Pseudo potential for functional blyp in the calculation with B3LYP functional
Duy Le
- [Pw_forum] Relax calculation not converging
Duy Le
- [Pw_forum] how to use startingpot for different ecutwfc?
Duy Le
- [Pw_forum] Missing Wannier90 in Q-E 4.1.1?
Duy Le
- [Pw_forum] AFM not equal to 0
Duy Le
- [Pw_forum] about the nelec in the outputfile
Duy Le
- [Pw_forum] forum searching
Tengfei Luo
- [Pw_forum] MKL 10.2 not recognized by configure script / Xeon=amd64?
O. Baris Malcioglu
- [Pw_forum] convergence problems using GIPAW
Gregor Mali
- [Pw_forum] convergence problems using GIPAW
Gregor Mali
- [Pw_forum] Tips for vc-relax when far from equilibrium
Brad Malone
- [Pw_forum] problems calculating large numbers of empty states
Brad Malone
- [Pw_forum] yambo installation
Andrea Marini
- [Pw_forum] GW calculations
Andrea Marini
- [Pw_forum] GW calculations
Andrea Marini
- [Pw_forum] Error building q-e 4.1 with Ubuntu 9.10 beta
Miguel Martínez
- [Pw_forum] Error building q-e 4.1 with Ubuntu 9.10 beta
Miguel Martínez
- [Pw_forum] phonon errors
Miguel Martínez
- [Pw_forum] Missing Wannier90 in Q-E 4.1.1?
Miguel Martínez
- [Pw_forum] Everything you always wanted to know about QE,
Nicola Marzari
- [Pw_forum] problems calculating large numbers of empty states
Nicola Marzari
- [Pw_forum] gap in the phonon DOS
Nicola Marzari
- [Pw_forum] calculating equilibrium lattice constant
Nicola Marzari
- [Pw_forum] PPs of Aluminum using ld1 code(including 11 valence electrons)
Nicola Marzari
- [Pw_forum] PPs of Aluminum using ld1 code(including 11 valenceelectrons)
Nicola Marzari
- [Pw_forum] Charge ordering with QE
Nicola Marzari
- [Pw_forum] (no subject)
Nicola Marzari
- [Pw_forum] Charge ordering with QE
Mulazzi Mattia
- [Pw_forum] (no subject)
Giuseppe Mattioli
- [Pw_forum] openmpi 1.3.3
Carlo Nervi
- [Pw_forum] openmpi 1.3.3
Carlo Nervi
- [Pw_forum] again on OpenMPI 1.3.3
Carlo Nervi
- [Pw_forum] worth recompiling ?
Carlo Nervi
- [Pw_forum] MKL 10.2 not recognized by configure script / Xeon=amd64?
Carlo Nervi
- [Pw_forum] GIPAW pseudopotentials
Pallister, Peter
- [Pw_forum] GIPAW pseudopotentials
Pallister, Peter
- [Pw_forum] GIPAW pseudopotentials
Pallister, Peter
- [Pw_forum] Use of Pseudo potential for functional blyp in the calculation with B3LYP functional
William Parker
- [Pw_forum] Reference for Fock Exchange Minimization Scheme?
William Parker
- [Pw_forum] Reference for Fock Exchange Minimization Scheme?
William Parker
- [Pw_forum] Reference for Fock Exchange Minimization Scheme?
William Parker
- [Pw_forum] Band structure calculation
Lorenzo Paulatto
- [Pw_forum] Error building q-e 4.1 with Ubuntu 9.10 beta
Lorenzo Paulatto
- [Pw_forum] scf calculation of isolated atom
Lorenzo Paulatto
- [Pw_forum] error in atomic coordinates
Lorenzo Paulatto
- [Pw_forum] write on local disk
Lorenzo Paulatto
- [Pw_forum] occupations fixed
Lorenzo Paulatto
- [Pw_forum] occupations fixed
Lorenzo Paulatto
- [Pw_forum] How to consider more valence electrons in Pseudopotentials?
Lorenzo Paulatto
- [Pw_forum] Relaxation of low symmetry lattices
Lorenzo Paulatto
- [Pw_forum] Relaxation of low symmetry lattices
Lorenzo Paulatto
- [Pw_forum] GIPAW pseudopotentials
Lorenzo Paulatto
- [Pw_forum] fhi2upf.x
Lorenzo Paulatto
- [Pw_forum] About the input file for matdyn.x
Lorenzo Paulatto
- [Pw_forum] k points in epsilon.x
Lorenzo Paulatto
- [Pw_forum] Calculating projected density of states
Lorenzo Paulatto
- [Pw_forum] total force ascend in the course of VC-relax
Lorenzo Paulatto
- [Pw_forum] how i can find tetragonal phase with PZT structure
Lorenzo Paulatto
- [Pw_forum] How to calculate the isotope effect
Lorenzo Paulatto
- [Pw_forum] how to use startingpot for different ecutwfc?
Lorenzo Paulatto
- [Pw_forum] Pw_forum Digest, Vol 28, Issue 38
Lorenzo Paulatto
- [Pw_forum] How to calculate the isotope effect
Lorenzo Paulatto
- [Pw_forum] GWW-problem
Lorenzo Paulatto
- [Pw_forum] lapack and BLAS
Lorenzo Paulatto
- [Pw_forum] c60
Lorenzo Paulatto
- [Pw_forum] MKL 10.2 not recognized by configure script / Xeon=amd64?
Lorenzo Paulatto
- [Pw_forum] GIPAW pseudopotentials
Lorenzo Paulatto
- [Pw_forum] lelfield
Lorenzo Paulatto
- [Pw_forum] Problem on compiling pwscf
Lorenzo Paulatto
- [Pw_forum] lelfield
Lorenzo Paulatto
- [Pw_forum] "cannot open xml_recover file for writing"
Lorenzo Paulatto
- [Pw_forum] "cannot open xml_recover file for writing"
Lorenzo Paulatto
- [Pw_forum] How dose the restart work?
Lorenzo Paulatto
- [Pw_forum] calculating equilibrium lattice constant
Lorenzo Paulatto
- [Pw_forum] System size
Lorenzo Paulatto
- [Pw_forum] about potentials given by PP
Lorenzo Paulatto
- [Pw_forum] PPs of Aluminum using ld1 code(including 11 valenceelectrons)
Lorenzo Paulatto
- [Pw_forum] geometry optimization
Lorenzo Paulatto
- [Pw_forum] About gaussian cubic format
Lorenzo Paulatto
- [Pw_forum] mpi-pwcond error
Lorenzo Paulatto
- [Pw_forum] (no subject)
Lorenzo Paulatto
- [Pw_forum] about potentials given by PP
Eduardo Ariel Menendez Proupin
- [Pw_forum] plane averaged local potential
Eduardo Ariel Menendez Proupin
- [Pw_forum] Lowdin charge
Q.J.Wang
- [Pw_forum] total force ascend in the course of VC-relax
Q.J.Wang
- [Pw_forum] Pw_forum Digest, Vol 28, Issue 38
Q.J.Wang
- [Pw_forum] Pw_forum Digest, Vol 28, Issue 40
Q.J.Wang
- [Pw_forum] AFM not equal to 0
Q.J.Wang
- [Pw_forum] Error building q-e 4.1 with Ubuntu 9.10 beta
James J Ramsey
- [Pw_forum] Error building q-e 4.1 with Ubuntu 9.10 beta
James J Ramsey
- [Pw_forum] forum searching
James J Ramsey
- [Pw_forum] MKL 10.2 not recognized by configure script / Xeon=amd64?
James J Ramsey
- [Pw_forum] Pw_forum Digest, Vol 28, Issue 58Re: Problem on compiling pwscf
James J Ramsey
- [Pw_forum] Tetrahedra method
Arles V. Gil Rebaza
- [Pw_forum] check on starting_magnetization
Guido Roma
- [Pw_forum] error in atomic coordinates
Marcello Rosini
- [Pw_forum] vc-relax bug?
Marcello Rosini
- [Pw_forum] Band structure calculation
Bertrand SITAMTZE
- [Pw_forum] Band structure calculation
Bertrand SITAMTZE
- [Pw_forum] Band structure calculation
Bertrand SITAMTZE
- [Pw_forum] System size
Bertrand SITAMTZE
- [Pw_forum] System size
Bertrand SITAMTZE
- [Pw_forum] pair correlation function and the choice of fnosep
Bertrand SITAMTZE
- [Pw_forum] Projected DOS
Gabriele Sclauzero
- [Pw_forum] symmetry of defect state
Gabriele Sclauzero
- [Pw_forum] pwcond with spin-orbital effect
Gabriele Sclauzero
- [Pw_forum] how to build cell for diamagnetic material?
Gabriele Sclauzero
- [Pw_forum] defect
Gabriele Sclauzero
- [Pw_forum] Fw: defect
Gabriele Sclauzero
- [Pw_forum] how to build cell for diamagnetic material?
Gabriele Sclauzero
- [Pw_forum] scf calculation of isolated atom
Gabriele Sclauzero
- [Pw_forum] PDOS on different Oxygen atoms
Gabriele Sclauzero
- [Pw_forum] Relaxation of low symmetry lattices
Gabriele Sclauzero
- [Pw_forum] Relaxation of low symmetry lattices
Gabriele Sclauzero
- [Pw_forum] energy-degenerate states with different irrep labels
Gabriele Sclauzero
- [Pw_forum] k points in epsilon.x
Gabriele Sclauzero
- [Pw_forum] problem of scf calculation under electric field
Gabriele Sclauzero
- [Pw_forum] energy-degenerate states with different irrep labels
Gabriele Sclauzero
- [Pw_forum] k points in epsilon.x
Gabriele Sclauzero
- [Pw_forum] energy-degenerate states with different irrep labels
Gabriele Sclauzero
- [Pw_forum] k points in epsilon.x
Gabriele Sclauzero
- [Pw_forum] k points in epsilon.x
Gabriele Sclauzero
- [Pw_forum] partial phonon density of state
Gabriele Sclauzero
- [Pw_forum] c60
Gabriele Sclauzero
- [Pw_forum] How dose the restart work?
Gabriele Sclauzero
- [Pw_forum] nothing is written to the output file
Gabriele Sclauzero
- [Pw_forum] mpi-pwcond error
Gabriele Sclauzero
- [Pw_forum] plane averaged local potential
Gabriele Sclauzero
- [Pw_forum] Charge ordering with QE
Gabriele Sclauzero
- [Pw_forum] GIPAW pseudopotentials
Ari P Seitsonen
- [Pw_forum] "cannot open xml_recover file for writing"
Ari P Seitsonen
- [Pw_forum] "cannot open xml_recover file for writing"
Ari P Seitsonen
- [Pw_forum] Relax calculation not converging
Dimpy Sharma
- [Pw_forum] Calculating projected density of states
Shaptrishi Sharma
- [Pw_forum] worth recompiling ?
Boris Skegin
- [Pw_forum] Left and right going Bloch's states from PWCOND
Alexander Smogunov
- [Pw_forum] Left and right going Bloch's states from PWCOND
Alexander Smogunov
- [Pw_forum] Left and right going Bloch's states from PWCOND
Alexander Smogunov
- [Pw_forum] Relaxation of low symmetry lattices
Manoj Srivastava
- [Pw_forum] Relaxation of low symmetry lattices
Manoj Srivastava
- [Pw_forum] Relaxation of low symmetry lattices
Manoj Srivastava
- [Pw_forum] Left and right going Bloch's states from PWCOND
Manoj Srivastava
- [Pw_forum] Left and right going Bloch's states from PWCOND
Manoj Srivastava
- [Pw_forum] Left and right going Bloch's states from PWCOND
Manoj Srivastava
- [Pw_forum] Left and right going Bloch's states from PWCOND
Manoj Srivastava
- [Pw_forum] Left and right going Bloch's states from PWCOND
Manoj Srivastava
- [Pw_forum] hard drive becomes read only during parallel QE 4.1.1 run with openmpi-1.3.3 intelv11 compilers
Derek Stewart
- [Pw_forum] pair correlation function and the choice of fnosep (fwd)
Antonio Tilocca
- [Pw_forum] MKL 10.2 not recognized by configure script / Xeon=amd64?
Matthias Timmer
- [Pw_forum] MKL 10.2 not recognized by configure script / Xeon=amd64?
Matthias Timmer
- [Pw_forum] phonon errors (vtmtrinh at caltech.edu)
Mikiyas Tsegaye
- [Pw_forum] calculating equilibrium lattice constant
Hande Ustunel
- [Pw_forum] calculating equilibrium lattice constant
Hande Ustunel
- [Pw_forum] PDOS on different Oxygen atoms
Huolin Xin
- [Pw_forum] Relax calculation not converging
Huolin Xin
- [Pw_forum] Electron Energy-Loss Near-Edge Fine Structure and Near Edge X-ray Absorption Fine Structure
Huolin Xin
- [Pw_forum] Could Q-E benefit a lot from GPU computation.
Huolin Xin
- [Pw_forum] electronic-phonon coupling error
Y.M.Qian
- [Pw_forum] electronic-phonon coupling error
Y.M.Qian
- [Pw_forum] electronic-phonon coupling error
Y.M.Qian
- [Pw_forum] scf calculation of isolated atom
udayagiri sai babu
- [Pw_forum] scf calculation of isolated atom
udayagiri sai babu
- [Pw_forum] occupations fixed
udayagiri sai babu
- [Pw_forum] occupations fixed
udayagiri sai babu
- [Pw_forum] Cr GGA potential is underestimating the cohesive energy.
udayagiri sai babu
- [Pw_forum] Cr GGA potential is underestimating the cohesive energy.
udayagiri sai babu
- [Pw_forum] Information on new release
vtmtrinh at caltech.edu
- [Pw_forum] Information on new release
vtmtrinh at caltech.edu
- [Pw_forum] Information on new release
vtmtrinh at caltech.edu
- [Pw_forum] write on local disk
vtmtrinh at caltech.edu
- [Pw_forum] write on local disk
vtmtrinh at caltech.edu
- [Pw_forum] phonon errors
vtmtrinh at caltech.edu
- [Pw_forum] phonon errors (vtmtrinh at caltech.edu)
vtmtrinh at caltech.edu
- [Pw_forum] phonon errors (vtmtrinh at caltech.edu)
vtmtrinh at caltech.edu
- [Pw_forum] phonon errors
vtmtrinh at caltech.edu
- [Pw_forum] Questions on phonon calculation in Example02 and 06
vtmtrinh at caltech.edu
- [Pw_forum] Questions on phonon calculation in Example02 and 06
vtmtrinh at caltech.edu
- [Pw_forum] Relax calculation not converging
marsamos at democritos.it
- [Pw_forum] k points in epsilon.x
marsamos at democritos.it
- [Pw_forum] Problem on compiling pwscf
marsamos at democritos.it
- [Pw_forum] "cannot open xml_recover file for writing"
marsamos at democritos.it
- [Pw_forum] How to calculate the isotope effect
loc duong ding
- [Pw_forum] How to calculate the isotope effect
loc duong ding
- [Pw_forum] how to build cell for diamagnetic material?
duchl06
- [Pw_forum] how to build cell for diamagnetic material?
duchl06
- [Pw_forum] how to build cell for diamagnetic material?
duchl06
- [Pw_forum] how to build cell for diamagnetic material?
duchl06
- [Pw_forum] how to build cell for diamagnetic material?
duchl06
- [Pw_forum] Everything you always wanted to know about QE,
lan haiping
- [Pw_forum] How to calculate the isotope effect
lan haiping
- [Pw_forum] c60
lan haiping
- [Pw_forum] lapack and BLAS
lan haiping
- [Pw_forum] c60
lan haiping
- [Pw_forum] About gaussian cubic format
saqib javaid
- [Pw_forum] About gaussian cubic format
saqib javaid
- [Pw_forum] About gaussian cubic format
saqib javaid
- [Pw_forum] (no subject)
kajal jindal
- [Pw_forum] defect
ali kazempour
- [Pw_forum] Fw: defect
ali kazempour
- [Pw_forum] GWW-problem
ali kazempour
- [Pw_forum] elctron-phonon
ali kazempour
- [Pw_forum] GWW-problem
ali kazempour
- [Pw_forum] el-ph for vacancy
ali kazempour
- [Pw_forum] How dose the restart work?
pc229 at kent.ac.uk
- [Pw_forum] Could Q-E benefit a lot from GPU computation.
vega lew
- [Pw_forum] Could Q-E benefit a lot from GPU computation.
vega lew
- [Pw_forum] elctron-phonon
lfhuang
- [Pw_forum] elctron-phonon
lfhuang
- [Pw_forum] I am sorry for sending two same mails in the previous volume!
lfhuang
- [Pw_forum] about the nelec in the outputfile
lfhuang
- [Pw_forum] about the nelec in the outputfile
lfhuang
- [Pw_forum] calculating equilibrium lattice constant
mohnish pandey
- [Pw_forum] geometry optimization
mohnish pandey
- [Pw_forum] calculating equilibrium lattice constant
mohnish pandey
- [Pw_forum] geometry optimization
mohnish pandey
- [Pw_forum] Pw_forum Digest, Vol 28, Issue 32
mtt physics
- [Pw_forum] how i can find tetragonal phase with PZT structure
mtt physics
- [Pw_forum] mpi-pwcond error
ambavale sagar
- [Pw_forum] fhi2upf.x
dev sharma
- [Pw_forum] fhi2upf.x
dev sharma
- [Pw_forum] k points in epsilon.x
dev sharma
- [Pw_forum] k points in epsilon.x
dev sharma
- [Pw_forum] k points in epsilon.x
dev sharma
- [Pw_forum] k points in epsilon.x
dev sharma
- [Pw_forum] Calculating projected density of states
dev sharma
- [Pw_forum] lapack and BLAS
dev sharma
- [Pw_forum] yambo installation
dev sharma
- [Pw_forum] yambo installation
dev sharma
- [Pw_forum] GW calculations
dev sharma
- [Pw_forum] GW calculations
dev sharma
- [Pw_forum] What is the meaning of dipfield=.true. ?
shypirate
- [Pw_forum] What is the meaning of dipfield=.true. ?
shypirate
- [Pw_forum] Band structure calculation
shypirate
- [Pw_forum] problem of scf calculation under electric field
shypirate
- [Pw_forum] (no subject)
shoutian sun
- [Pw_forum] IR calculation
shoutian sun
- [Pw_forum] IR
shoutian sun
- [Pw_forum] yambo installation
iori at theory.polytechnique.fr
- [Pw_forum] yambo installation
iori at theory.polytechnique.fr
- [Pw_forum] partial phonon density of state
zq wu
- [Pw_forum] partial phonon density of state
zq wu
- [Pw_forum] which is the local potential
wujianchun
- [Pw_forum] how to build cell for diamagnetic material?
xirainbow
- [Pw_forum] pwcond with spin-orbital effect
xirainbow
- [Pw_forum] how to build cell for diamagnetic material?
xirainbow
- [Pw_forum] pwcond with spin-orbital effect
xirainbow
- [Pw_forum] Information on new release
xirainbow
- [Pw_forum] Tips for vc-relax when far from equilibrium
xirainbow
- [Pw_forum] gap in the phonon DOS
xirainbow
- [Pw_forum] "cannot open xml_recover file for writing"
shu xu
- [Pw_forum] 访问我的Netlog个人主页
黄宝陵
Last message date:
Sat Oct 31 10:46:03 CET 2009
Archived on: Sat Oct 31 10:53:31 CET 2009
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