pw_forum
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2012/09/20
[Pw_forum] Can't get converged results when using ESM method
Xin Li
2012/09/20
[Pw_forum] PW91 bug in QE 4.3.2
Derek Stewart
2012/09/20
[Pw_forum] revPBE pseudo potentials
Martin Andersson
2012/09/20
[Pw_forum] revPBE pseudo potentials
Ary Junior
2012/09/20
[Pw_forum] revPBE pseudo potentials
Violeta Iancu
2012/09/20
[Pw_forum] pw.x
Giuseppe Mattioli
2012/09/20
[Pw_forum] pw.x
bamidele ibrahim
2012/09/20
[Pw_forum] pw.x
Bramha Pandey
2012/09/20
[Pw_forum] pw.x
Sakhrawi Taoufek
2012/09/19
[Pw_forum] Delta-sol method
Hrachya Kyureghian
2012/09/19
[Pw_forum] QHA code questions
Saurabh Bajaj
2012/09/19
[Pw_forum] doubts (problems?) in DOS calculation
bamidele ibrahim
2012/09/19
[Pw_forum] doubts (problems?) in DOS calculation
Yue-Wen Fang
2012/09/19
[Pw_forum] doubts (problems?) in DOS calculation
Davide Tiana
2012/09/19
[Pw_forum] charge density difference calculation error!
Yue-Wen Fang
2012/09/19
[Pw_forum] charge density difference calculation error!
Gabriele Sclauzero
2012/09/19
[Pw_forum] charge density difference calculation error!
Gabriele Sclauzero
2012/09/19
[Pw_forum] charge density difference calculation error!
Yue-Wen Fang
2012/09/19
[Pw_forum] charge density difference calculation error!
Yue-Wen Fang
2012/09/19
[Pw_forum] charge density difference calculation error!
Gabriele Sclauzero
2012/09/18
[Pw_forum] Queries regarding fixed-spin moment phonon calculations and DFPT+U
Subhradip Ghosh
2012/09/18
[Pw_forum] el-ph in Nb
Iyad AL-QASIR
2012/09/18
[Pw_forum] charge density difference calculation error!
Yue-Wen Fang
2012/09/18
[Pw_forum] charge density difference calculation error!
Gabriele Sclauzero
2012/09/18
[Pw_forum] charge density difference calculation error!
Yue-Wen Fang
2012/09/18
[Pw_forum] charge density difference calculation error!
Gabriele Sclauzero
2012/09/18
[Pw_forum] charge density difference calculation error!
Yue-Wen Fang
2012/09/18
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/18
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/18
[Pw_forum] pw.x does not work
Filippo Spiga
2012/09/18
[Pw_forum] pw.x does not work
Paolo Giannozzi
2012/09/18
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/18
[Pw_forum] pw.x does not work
Filippo Spiga
2012/09/17
[Pw_forum] el-ph in Nb
Iyad AL-QASIR
2012/09/17
[Pw_forum] Wired and large (4Ry) total energy difference on different machines
Fenggong Wang
2012/09/17
[Pw_forum] Wired and large (4Ry) total energy difference on different machines
Paolo Giannozzi
2012/09/17
[Pw_forum] Wired and large (4Ry) total energy difference on different machines
Fenggong Wang
2012/09/17
[Pw_forum] pw.x does not work
Lorenzo Paulatto
2012/09/17
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/17
[Pw_forum] pw.x does not work
Paolo Giannozzi
2012/09/17
[Pw_forum] pw.x does not work
Yue-Wen Fang
2012/09/17
[Pw_forum] pw.x does not work
Yue-Wen Fang
2012/09/17
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/17
[Pw_forum] pw.x does not work
Yue-Wen Fang
2012/09/17
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/17
[Pw_forum] pw.x does not work
Yue-Wen Fang
2012/09/17
[Pw_forum] pw.x does not work
Yue-Wen Fang
2012/09/17
[Pw_forum] How to make use of PSlibrary?
Yue-Wen Fang
2012/09/17
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/17
[Pw_forum] How to make use of PSlibrary?
Lorenzo Paulatto
2012/09/17
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/17
[Pw_forum] pw.x does not work
Lorenzo Paulatto
2012/09/17
[Pw_forum] pw.x does not work
Yue-Wen Fang
2012/09/17
[Pw_forum] How to make use of PSlibrary?
Yue-Wen Fang
2012/09/17
[Pw_forum] pw.x does not work
Pablo García Risueño
2012/09/17
[Pw_forum] Density of states
Yue-Wen Fang
2012/09/17
[Pw_forum] How to make use of PSlibrary?
Paolo Giannozzi
2012/09/17
[Pw_forum] How to make use of PSlibrary?
Yue-Wen Fang
2012/09/17
[Pw_forum] How to calculate the adsorption energy of ion (charged particle) on the surface of semiconductor?
yavar pour azar
2012/09/17
[Pw_forum] hse06 vs pbe0
Paolo Giannozzi
2012/09/16
[Pw_forum] hse06 vs pbe0
florence liu
2012/09/16
[Pw_forum] Density of states
Sanjeev Gupta
2012/09/16
[Pw_forum] Density of states
Sohail Ahmad
2012/09/15
[Pw_forum] How to make use of PSlibrary?
bamidele ibrahim
2012/09/15
[Pw_forum] How to make use of PSlibrary?
Yue-Wen Fang
2012/09/14
[Pw_forum] The cell blowing up in MD simulation
Paolo Giannozzi
2012/09/13
[Pw_forum] The cell blowing up in MD simulation
Tian Lan
2012/09/13
[Pw_forum] No compatible Gipaw and Quantum Espresso available
Layla Martin-Samos
2012/09/13
[Pw_forum] gamma phonon calculation error using phcg.x
Bramha Pandey
2012/09/13
[Pw_forum] gamma phonon calculation error using phcg.x
Paolo Giannozzi
2012/09/13
[Pw_forum] gamma phonon calculation error using phcg.x
Bramha Pandey
2012/09/13
[Pw_forum] wrong total_weight error with matdyn
Paolo Giannozzi
2012/09/13
[Pw_forum] The cell blowing up in MD simulation
Paolo Giannozzi
2012/09/13
[Pw_forum] upf_v1_format option no more available in 5.0.1 '
Paolo Giannozzi
2012/09/13
[Pw_forum] pb_small error
Paolo Giannozzi
2012/09/13
[Pw_forum] No compatible Gipaw and Quantum Espresso available
Paolo Giannozzi
2012/09/12
[Pw_forum] No compatible Gipaw and Quantum Espresso available
Jarkko Vähäkangas
2012/09/12
[Pw_forum] No compatible Gipaw and Quantum Espresso available
Paolo Giannozzi
2012/09/12
[Pw_forum] No compatible Gipaw and Quantum Espresso available
Jarkko Vähäkangas
2012/09/12
[Pw_forum] pb_small error
am...@illinois.edu
2012/09/12
[Pw_forum] The cell blowing up in MD simulation
Tian Lan
2012/09/12
[Pw_forum] quadrupole monents & GIPAW & a problem
Zbigniew Lodziana
2012/09/12
[Pw_forum] upf_v1_format option no more available in 5.0.1 '
Latévi Max LAWSON DAKU
2012/09/12
[Pw_forum] wrong total_weight error with matdyn
Thomas Gruber
2012/09/12
[Pw_forum] upf_v1_format option no more available in 5.0.1 '
Paolo Giannozzi
2012/09/12
[Pw_forum] upf_v1_format option no more available in 5.0.1 '
Latévi Max LAWSON DAKU
2012/09/12
[Pw_forum] quadrupole monents & GIPAW & a problem
Davide Ceresoli
2012/09/11
[Pw_forum] pbe with norm conserving pp convergence problem
Peng Chen
2012/09/11
[Pw_forum] make error (module global_version.mod)
Filippo Spiga
2012/09/11
[Pw_forum] quadrupole monents & GIPAW & a problem
Zbigniew Lodziana
2012/09/11
[Pw_forum] wrong total_weight error with matdyn
Paolo Giannozzi
2012/09/11
[Pw_forum] wrong total_weight error with matdyn
Paolo Giannozzi
2012/09/11
[Pw_forum] wrong total_weight error with matdyn
Thomas Gruber
2012/09/11
[Pw_forum] make error (module global_version.mod)
Jennifer Wohlwend
2012/09/11
[Pw_forum] GPU
Filippo Spiga
2012/09/11
[Pw_forum] GPU
Axel Kohlmeyer
2012/09/11
[Pw_forum] GPU
Amir hosseini
2012/09/11
[Pw_forum] error 1
Sakhrawi Taoufek
2012/09/11
[Pw_forum] pbe with norm conserving pp convergence problem
Paolo Giannozzi
2012/09/10
[Pw_forum] electron phonon coupling in semiconductors
Bo Qiu
2012/09/10
[Pw_forum] pbe with norm conserving pp convergence problem
Jia Chen
2012/09/10
[Pw_forum] pbe with norm conserving pp convergence problem
Peng Chen
2012/09/10
[Pw_forum] pbe with norm conserving pp convergence problem
Jia Chen
2012/09/10
[Pw_forum] pbe with norm conserving pp convergence problem
Peng Chen
2012/09/10
[Pw_forum] electron phonon coupling in semiconductors
Paolo Giannozzi
2012/09/10
[Pw_forum] make error (module global_version.mod)
Paolo Giannozzi
2012/09/10
[Pw_forum] make error (module global_version.mod)
Jennifer Wohlwend
2012/09/10
[Pw_forum] pbe with norm conserving pp convergence problem
Paolo Giannozzi
2012/09/10
[Pw_forum] comparison of ph.x and dynmat.x results
Vinay Hegde
2012/09/10
[Pw_forum] Problem with Pseudopotentials and Input Information
Matthew M Montemore
2012/09/10
[Pw_forum] question about pp for Raman calculation
Paolo Giannozzi
2012/09/10
[Pw_forum] question about pp for Raman calculation
James Mao
2012/09/10
[Pw_forum] question about pp for Raman calculation
James Mao
2012/09/10
[Pw_forum] comparison of ph.x and dynmat.x results
Elie M
2012/09/10
[Pw_forum] make error (module global_version.mod)
Paolo Giannozzi
2012/09/10
[Pw_forum] make error (module global_version.mod)
Jennifer Wohlwend
2012/09/10
[Pw_forum] make error (module global_version.mod)
Paolo Giannozzi
2012/09/10
[Pw_forum] question about pp for Raman calculation
bamidele ibrahim
2012/09/10
[Pw_forum] make error (module global_version.mod)
Jennifer Wohlwend
2012/09/10
[Pw_forum] question about pp for Raman calculation
Axel Kohlmeyer
2012/09/10
[Pw_forum] question about pp for Raman calculation
Paolo Giannozzi
2012/09/10
[Pw_forum] question about pp for Raman calculation
James Mao
2012/09/10
[Pw_forum] pbe with norm conserving pp convergence problem
Peng Chen
2012/09/10
[Pw_forum] Error/Warning in Ph.x (Paolo Giannozzi)
ramesh kumar
2012/09/09
[Pw_forum] Problem with Pseudopotentials and Input Information
Paolo Giannozzi
2012/09/09
[Pw_forum] Error/Warning in Ph.x
Paolo Giannozzi
2012/09/09
[Pw_forum] Occupation number
Peng Chen
2012/09/09
[Pw_forum] Occupation number
Stefano de Gironcoli
2012/09/08
[Pw_forum] Occupation number
Peng Chen
2012/09/08
[Pw_forum] Problem with Pseudopotentials and Input Information
Matthew M Montemore
2012/09/08
[Pw_forum] Error/Warning in Ph.x
ramesh kumar
2012/09/08
[Pw_forum] comparison of ph.x and dynmat.x results
Elie M
2012/09/08
[Pw_forum] Problem with Pseudopotentials and Input Information
Lorenzo Paulatto
2012/09/08
[Pw_forum] Problem with Pseudopotentials and Input Information
Paolo Giannozzi
2012/09/08
[Pw_forum] comparison of ph.x and dynmat.x results
Stefano de Gironcoli
2012/09/07
[Pw_forum] comparison of ph.x and dynmat.x results
Elie M
2012/09/07
[Pw_forum] Density of states
Peng Chen
2012/09/07
[Pw_forum] electron phonon coupling in semiconductors
Bo Qiu
2012/09/07
[Pw_forum] generate pseudopotential
bf azi
2012/09/07
[Pw_forum] IOTK library
Axel Kohlmeyer
2012/09/07
[Pw_forum] IOTK library
Ruibin Liu
2012/09/07
[Pw_forum] Density of states
GAO Zhe
2012/09/07
[Pw_forum] Density of states
jia chen
2012/09/07
[Pw_forum] Density of states
Peng Chen
2012/09/07
[Pw_forum] full version of QE-5.0-GPU
Filippo Spiga
2012/09/07
[Pw_forum] W full relativistic pseudopotential
程迎春
2012/09/07
[Pw_forum] W full relativistic pseudopotential
GAO Zhe
2012/09/07
[Pw_forum] supercell
Layla Martin-Samos
2012/09/07
[Pw_forum] W full relativistic pseudopotential
程迎春
2012/09/07
[Pw_forum] full version of QE-5.0-GPU
Bramha Pandey
2012/09/06
[Pw_forum] full version of QE-5.0-GPU
Lorenzo Paulatto
2012/09/06
[Pw_forum] full version of QE-5.0-GPU
Bramha Pandey
2012/09/06
[Pw_forum] supercell
Ruibin Liu
2012/09/06
[Pw_forum] error when using dynmat.x
Elie M
2012/09/06
[Pw_forum] GIPAW problems
Paolo Giannozzi
2012/09/06
[Pw_forum] clock shew detected
Stefano Baroni
2012/09/06
[Pw_forum] GIPAW problems
Prasenjit Ghosh
2012/09/06
[Pw_forum] GIPAW problems
Gabriele Sclauzero
2012/09/06
[Pw_forum] GIPAW problems
Prasenjit Ghosh
2012/09/06
[Pw_forum] supercell for cpmd
Riping Wang
2012/09/06
[Pw_forum] oscillation of P T in cp
Riping Wang
2012/09/05
[Pw_forum] vc-relax : total force does not converge (Lorenzo Paulatto)
Paolo Giannozzi
2012/09/05
[Pw_forum] error when using dynmat.x
Lorenzo Paulatto
2012/09/05
[Pw_forum] error when using dynmat.x
Paolo Giannozzi
2012/09/05
[Pw_forum] GIPAW problems
Zbigniew Lodziana
2012/09/05
[Pw_forum] clock shew detected
Axel Kohlmeyer
2012/09/05
[Pw_forum] error when using dynmat.x
Elie M
2012/09/05
[Pw_forum] vc-relax : total force does not converge (Lorenzo Paulatto)
Jiseok Kim
2012/09/05
[Pw_forum] GIPAW problems
Prasenjit Ghosh
2012/09/05
[Pw_forum] clock shew detected
yqsu
2012/09/05
[Pw_forum] GIPAW problems
Emine Kucukbenli
2012/09/05
[Pw_forum] vc-relax : total force does not converge
Lorenzo Paulatto
2012/09/05
[Pw_forum] vc-relax : total force does not converge
Jiseok Kim
2012/09/04
[Pw_forum] Pw_forum Digest, Vol 63, Issue 8
Ramesh Kumar
2012/09/04
[Pw_forum] vc-relax : total force does not converge
Jiseok Kim
2012/09/04
[Pw_forum] Pw_forum Digest, Vol 63, Issue 7
Onaiwu Kingsley Nosa
2012/09/04
[Pw_forum] How to plot bands perfectly with plotband.x?
Yue-Wen Fang
2012/09/04
[Pw_forum] How to plot bands perfectly with plotband.x?
Andrea Dal Corso
2012/09/04
[Pw_forum] How to plot bands perfectly with plotband.x?
Yue-Wen Fang
2012/09/04
[Pw_forum] How to plot bands perfectly with plotband.x?
Andrea Dal Corso
2012/09/04
[Pw_forum] How to plot bands perfectly with plotband.x?
Yue-Wen Fang
2012/09/03
[Pw_forum] error: wrong order of k-points
Elie M
2012/09/03
[Pw_forum] strange results for phonon frequencies.
Elie M
2012/09/03
[Pw_forum] Pseudopotential for Hafnium (Hf)
Romeda Azeen
2012/09/03
[Pw_forum] Possible bug(?) in q2r.x when using FFT routine in ESSL
Jiseok Kim
2012/09/03
[Pw_forum] Pseudopotential for Hafnium (Hf)
Nicola Marzari
2012/09/03
[Pw_forum] GIPAW problems
Zbigniew Lodziana
2012/09/03
[Pw_forum] EXX_examples , Molecules and InAs
Layla Martin-Samos
2012/09/03
[Pw_forum] EXX_examples , Molecules and InAs
Saeedeh S Ravandi
2012/09/03
[Pw_forum] looking for Er pseudopotential
shangy
2012/09/03
[Pw_forum] Pseudopotential for Hafnium (Hf)
Axel Kohlmeyer
2012/09/03
[Pw_forum] Pseudopotential for Hafnium (Hf)
Romeda Azeen
2012/09/03
[Pw_forum] Pseudopotential for Hafnium (Hf)
Romeda Azeen
2012/09/03
[Pw_forum] EXX_examples , Molecules and InAs
Layla Martin-Samos
2012/09/03
[Pw_forum] EXX_examples , Molecules and InAs
Axel Kohlmeyer
2012/09/03
[Pw_forum] EXX_examples , Molecules and InAs
Saeedeh S Ravandi
2012/09/03
[Pw_forum] PAW for vdw-DF2
Paolo Giannozzi
2012/09/03
[Pw_forum] phd felloships announcement
Layla Martin-Samos
2012/09/03
[Pw_forum] EXX_examples
Layla Martin-Samos
2012/09/02
[Pw_forum] EXX_examples
Saeedeh S Ravandi
Earlier messages
Later messages