Messages by Date
-
2011/08/10
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
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2011/08/10
[Pw_forum] Compilation QE4.3.1 under Cygwin (gcc, g++4.6.1)
beata_bp Gazeta.pl
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2011/08/10
[Pw_forum] phonon calculations for a system of 60 atoms
Elie Moujaes
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2011/08/10
[Pw_forum] Convergence of Phonon with K points
Stefano Baroni
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2011/08/10
[Pw_forum] Compilation QE4.3.1 under Cygwin (gcc, g++4.6.1)
Lorenzo Paulatto
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2011/08/10
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
Gabriele Sclauzero
-
2011/08/10
[Pw_forum] Convergence of Phonon with K points
Prasenjit Ghosh
-
2011/08/10
[Pw_forum] Problem in Xspectra calculation
Niharika Joshi
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2011/08/10
[Pw_forum] Convergence of Phonon with K points
mayank gupta
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2011/08/09
[Pw_forum] Calculation of log_w
davgumo
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2011/08/09
[Pw_forum] Fermi Energy
chengyu yang
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2011/08/09
[Pw_forum] Fermi Energy
Mahdi Faqieh nasiri
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2011/08/09
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
-
2011/08/09
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
Gabriele Sclauzero
-
2011/08/09
[Pw_forum] (no subject)
Mahdi Faqieh nasiri
-
2011/08/09
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
-
2011/08/09
[Pw_forum] Compilation QE4.3.1 under Cygwin (gcc, g++4.6.1)
beata_bp Gazeta.pl
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2011/08/09
[Pw_forum] Co Pseudopotential
[email protected]
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2011/08/09
[Pw_forum] convergence of Phonon
Stefano Baroni
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2011/08/09
[Pw_forum] Run example error in qe-gipaw
Ren PJ
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2011/08/09
[Pw_forum] convergence of Phonon
GAO Zhe
-
2011/08/09
[Pw_forum] Pd pseudopotential
Lorenzo Paulatto
-
2011/08/09
[Pw_forum] convergence of Phonon
mayank gupta
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2011/08/08
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
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2011/08/08
[Pw_forum] Co Pseudopotential
jia chen
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2011/08/08
[Pw_forum] Co Pseudopotential
heather kulik
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2011/08/08
[Pw_forum] Co Pseudopotential
Izaak Williamson
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2011/08/08
[Pw_forum] Pd pseudopotential
Christopher Heard
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2011/08/08
[Pw_forum] Co Pseudopotential
jia chen
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2011/08/08
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
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2011/08/08
[Pw_forum] Co Pseudopotential
heather kulik
-
2011/08/08
[Pw_forum] Co Pseudopotential
Izaak Williamson
-
2011/08/08
[Pw_forum] vdw-df2
Robin H
-
2011/08/08
[Pw_forum] Run example error in qe-gipaw
Layla Martin-Samos
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2011/08/08
[Pw_forum] QE v4.3.2 failed to read the input file of v4.3
Layla Martin-Samos
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2011/08/07
[Pw_forum] the meaning of gx, gy and gz in PDOS of phonon from QHA code
GAO Zhe
-
2011/08/05
[Pw_forum] QE v4.3.2 failed to read the input file of v4.3
lilonghua
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2011/08/05
[Pw_forum] QE v4.3.2 failed to read the input file of v4.3
lilonghua
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2011/08/05
[Pw_forum] anyone meets the problem like this?
Robin H
-
2011/08/05
[Pw_forum] compiling error during the installation of the GPU release of Quantum ESpresso
Ivan Girotto
-
2011/08/05
[Pw_forum] Invitation to connect on LinkedIn
Stefano Baroni
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2011/08/05
[Pw_forum] Invitation to connect on LinkedIn
Thaneshwor Kaloni via LinkedIn
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2011/08/05
[Pw_forum] elastic constants
Stefano Baroni
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2011/08/05
[Pw_forum] pw.x seg. faults with EXX
mike at.
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2011/08/05
[Pw_forum] compiling error during the installation of the GPU release of Quantum ESpresso
Layla Martin-Samos
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2011/08/05
[Pw_forum] compiling error during the installation of the GPU release of Quantum ESpresso
fabrizio gala
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2011/08/05
[Pw_forum] elastic constants
bhabya sahoo
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2011/08/05
[Pw_forum] Invitation to connect on LinkedIn
Alex An via LinkedIn
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2011/08/05
[Pw_forum] Invitation to connect on LinkedIn
Alex An via LinkedIn
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2011/08/05
[Pw_forum] compiling error during the installation of the GPU release of Quantum ESpresso
Paolo Giannozzi
-
2011/08/05
[Pw_forum] pw.x seg. faults with EXX
Paolo Giannozzi
-
2011/08/05
[Pw_forum] Help regarding supercell (Deepak Tahkur)
ramesh kumar
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2011/08/05
[Pw_forum] Raman on DFT-false-metals
Paolo Giannozzi
-
2011/08/05
[Pw_forum] q vectors
Paolo Giannozzi
-
2011/08/05
[Pw_forum] repeated band structure calculation in, splittet phonon calculation
Thomas Gruber
-
2011/08/05
[Pw_forum] Error in example22
Gabriele Sclauzero
-
2011/08/04
[Pw_forum] IOTK error while restarting using QE4.3.1
Prasenjit Ghosh
-
2011/08/04
[Pw_forum] pw.x seg. faults with EXX
Omololu Akin-Ojo
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2011/08/04
[Pw_forum] IOTK error while restarting using QE4.3.1
Lorenzo Paulatto
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2011/08/04
[Pw_forum] Error in example22
Padmaja Patnaik
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2011/08/04
[Pw_forum] IOTK error while restarting using QE4.3.1
Paolo Giannozzi
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2011/08/04
[Pw_forum] Help regarding supercell
Duy Le
-
2011/08/04
[Pw_forum] Help regarding supercell
dipak thakur
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2011/08/04
[Pw_forum] large error in RuO2 lattice parameter
Duy Le
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2011/08/04
[Pw_forum] problem in K_point selection.
Duy Le
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2011/08/04
[Pw_forum] Error in example22
Gabriele Sclauzero
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2011/08/04
[Pw_forum] Error
Paolo Giannozzi
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2011/08/04
[Pw_forum] problem in K_Point selection.
Paolo Giannozzi
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2011/08/04
[Pw_forum] anyone meets the problem like this?
Gabriele Sclauzero
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2011/08/04
[Pw_forum] anyone meets the problem like this?
Gabriele Sclauzero
-
2011/08/04
[Pw_forum] pw.x seg. faults with EXX
naphtaly moro
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2011/08/04
[Pw_forum] Error in example22
Padmaja Patnaik
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2011/08/04
[Pw_forum] pw.x seg. faults with EXX
Omololu Akin-Ojo
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2011/08/04
[Pw_forum] pw.x seg. faults with EXX
Omololu Akin-Ojo
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2011/08/04
[Pw_forum] About abbrevations of thermo.f
zafar rasheed
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2011/08/04
[Pw_forum] anyone meets the problem like this?
Robin H
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2011/08/04
[Pw_forum] problem in K_point selection.
Mahdi Faqieh nasiri
-
2011/08/04
[Pw_forum] problem in K_Point selection.
Mahdi Faqieh nasiri
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2011/08/04
[Pw_forum] Error
gulzar ahmed
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2011/08/03
[Pw_forum] large error in RuO2 lattice parameter
mohnish pandey
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2011/08/03
[Pw_forum] Regarding supercell dimensions
mohnish pandey
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2011/08/03
[Pw_forum] Run example error in qe-gipaw
Ren PJ
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2011/08/03
[Pw_forum] problem with Sc-pseudo
Henry Ortiz
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2011/08/03
[Pw_forum] Regarding supercell dimensions
dipak thakur
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2011/08/03
[Pw_forum] ld1.x generate Sb PP
Yongsheng Zhang
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2011/08/03
[Pw_forum] Raman on DFT-false-metals
Eduardo Ariel Menendez Proupin
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2011/08/03
[Pw_forum] problem with creating the pseudopotential of Zn
Robin H
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2011/08/03
[Pw_forum] compiling error during the installation of the GPU release of Quantum ESpresso
fabrizio gala
-
2011/08/03
[Pw_forum] Doubt in input file
Gabriele Sclauzero
-
2011/08/02
[Pw_forum] IOTK error while restarting using QE4.3.1
Prasenjit Ghosh
-
2011/08/02
[Pw_forum] About the Frozen Phonon Method
mohaddeseh abbasnejad
-
2011/08/02
[Pw_forum] QHA compilation error
bamidele ibrahim
-
2011/08/02
[Pw_forum] how to plot infrared and raman spectra
bamidele ibrahim
-
2011/08/02
[Pw_forum] electronic DOS for a GB system of 60 atoms
Elie Moujaes
-
2011/08/02
[Pw_forum] electronic DOS for a GB system of 60 atoms
Lars Matthes
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2011/08/02
[Pw_forum] electronic DOS for a GB system of 60 atoms
Elie Moujaes
-
2011/08/02
[Pw_forum] q vectors
Jennifer Wohlwend
-
2011/08/02
[Pw_forum] Ways to reduce disk i/o when doing phonon calculations with ph.x
Hans Lind
-
2011/08/02
[Pw_forum] Ways to reduce disk i/o when doing phonon calculations with ph.x
Hans Lind
-
2011/08/02
[Pw_forum] About the Frozen Phonon Method
Stefano Baroni
-
2011/08/02
[Pw_forum] Doubt in input file
Padmaja Patnaik
-
2011/08/02
[Pw_forum] repeated band structure calculation in splittet phonon calculation
Paolo Giannozzi
-
2011/08/02
[Pw_forum] 0: in pw-output
Paolo Giannozzi
-
2011/08/02
[Pw_forum] Ways to reduce disk i/o when doing phonon calculations with ph.x
Paolo Giannozzi
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2011/08/02
[Pw_forum] Error in calculations
Paolo Giannozzi
-
2011/08/02
[Pw_forum] 0: in pw-output
Guntram Schmidt
-
2011/08/02
[Pw_forum] Interpretation of vc-relax / pi-pi-stack
Kolb, Brian
-
2011/08/02
[Pw_forum] Error in calculations
Padmaja Patnaik
-
2011/08/02
[Pw_forum] Ways to reduce disk i/o when doing phonon calculations with ph.x
Hans Lind
-
2011/08/02
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
Gabriele Sclauzero
-
2011/08/02
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
Gabriele Sclauzero
-
2011/08/02
[Pw_forum] Interpretation of vc-relax / pi-pi-stack
Guntram Schmidt
-
2011/08/02
[Pw_forum] Increasing FFT grid for charge density analyses
Sven Heiles
-
2011/08/02
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
Gabriele Sclauzero
-
2011/08/02
[Pw_forum] Increasing FFT grid for charge density analyses
Paolo Giannozzi
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2011/08/02
[Pw_forum] Increasing FFT grid for charge density analyses
Tone Kokalj
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2011/08/02
[Pw_forum] Increasing FFT grid for charge density analyses
Sven Heiles
-
2011/08/02
[Pw_forum] Segmentation fault on relaxed structure in vc-relax on QE4.3.1
Gabriele Sclauzero
-
2011/08/02
[Pw_forum] Increasing FFT grid for charge density analyses
Paolo Giannozzi
-
2011/08/02
[Pw_forum] Hubbard U on Eu 4f orbitals
Paolo Giannozzi
-
2011/08/01
[Pw_forum] About the Frozen Phonon Method
mohaddeseh abbasnejad
-
2011/08/01
[Pw_forum] Hubbard U on Eu 4f orbitals
jia chen
-
2011/08/01
[Pw_forum] Hubbard U on Eu 4f orbitals
hanghui chen
-
2011/08/01
[Pw_forum] About the Frozen Phonon Method
Stefano Baroni
-
2011/08/01
[Pw_forum] question about LDOS calculation within boxes using pp.x
Guido Fratesi
-
2011/08/01
[Pw_forum] About the Frozen Phonon Method
mohaddeseh abbasnejad
-
2011/08/01
[Pw_forum] About the Frozen Phonon Method
Stefano Baroni
-
2011/08/01
[Pw_forum] About the Frozen Phonon Method
mohaddeseh abbasnejad
-
2011/08/01
[Pw_forum] Increasing FFT grid for charge density analyses
Sven Heiles
-
2011/08/01
[Pw_forum] repeated band structure calculation in splittet phonon calculation
Thomas Gruber
-
2011/08/01
[Pw_forum] How to convince QE from local lapack/blas?
Paolo Giannozzi
-
2011/08/01
[Pw_forum] Problem with modifying the QE code for the spin-polarized vdW-DF calculation
WANG Wei
-
2011/08/01
[Pw_forum] How to convince QE from local lapack/blas?
Guntram Schmidt
-
2011/07/31
[Pw_forum] Change of occupation number and cut3d
Samuel Poncé
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2011/07/31
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
gbliu
-
2011/07/31
[Pw_forum] Example08 stop at Fermi surface calculation
lilonghua
-
2011/07/30
[Pw_forum] Change of occupation number and cut3d
Duy Le
-
2011/07/30
[Pw_forum] Change of occupation number and cut3d
Samuel Poncé
-
2011/07/30
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
Paolo Giannozzi
-
2011/07/30
[Pw_forum] vdw2
Duy Le
-
2011/07/30
[Pw_forum] Does not disk_io='low' work with calculation='bands'?
Paolo Giannozzi
-
2011/07/30
[Pw_forum] vdw-df2
DONG Rui
-
2011/07/30
[Pw_forum] vdw2
DONG Rui
-
2011/07/30
[Pw_forum] DOS of a 60 carbon grain boundary system
Elie Moujaes
-
2011/07/30
[Pw_forum] Does not disk_io='low' work with calculation='bands'?
GAO Zhe
-
2011/07/30
[Pw_forum] Change of occupation number and cut3d
GAO Zhe
-
2011/07/29
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
-
2011/07/29
[Pw_forum] Using a big box model to calculating the energy of isolated atom
Hongsheng Zhao
-
2011/07/29
[Pw_forum] Using a big box model to calculating the energy of isolated atom
Masoud Nahali
-
2011/07/29
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
-
2011/07/29
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
Paolo Giannozzi
-
2011/07/29
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
-
2011/07/29
[Pw_forum] Segmentation fault on relaxed structure in vc-relax on QE4.3.1
Marino Vetuschi Zuccolini
-
2011/07/29
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
gbliu
-
2011/07/29
[Pw_forum] Using a big box model to calculating the energy of isolated atom.
Hongsheng Zhao
-
2011/07/29
[Pw_forum] strange error with monoclinic structure
Jörg Buchwald
-
2011/07/29
[Pw_forum] Change of occupation number and cut3d
Samuel Poncé
-
2011/07/28
[Pw_forum] strange error with monoclinic structure
Paolo Giannozzi
-
2011/07/28
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
-
2011/07/28
[Pw_forum] strange error with monoclinic structure
GAO Zhe
-
2011/07/28
[Pw_forum] How to convince QE from local lapack/blas?
Michael Sullivan
-
2011/07/28
[Pw_forum] (no subject)
Vi Vo
-
2011/07/28
[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.
chengyu yang
-
2011/07/28
[Pw_forum] Question about geometry relaxation
Eyvaz Isaev
-
2011/07/28
[Pw_forum] Segmentation fault on relaxed structure in vc-relax on QE4.3.1
Marino Vetuschi Zuccolini
-
2011/07/28
[Pw_forum] Segmentation fault on relaxed structure in vc-relax on QE4.3.1
Paolo Giannozzi
-
2011/07/28
[Pw_forum] (no subject)
Paolo Giannozzi
-
2011/07/28
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
Paolo Giannozzi
-
2011/07/28
[Pw_forum] strange error with monoclinic structure
Jörg Buchwald
-
2011/07/28
[Pw_forum] PHONON error with elph=.true. and trans=.false.
Eyvaz Isaev
-
2011/07/28
[Pw_forum] Can pwscf do the Superconductivity study?
Eyvaz Isaev
-
2011/07/28
[Pw_forum] the issues with density of state vs. energy plot
Eyvaz Isaev
-
2011/07/28
[Pw_forum] Pw_forum Digest, Vol 49, Issue 68
Eyvaz Isaev
-
2011/07/28
[Pw_forum] Quantum ESPRESSO v.4.3.2 available for download
Layla Martin-Samos
-
2011/07/28
[Pw_forum] Using a big box model to calculating the energy of isolated atom.
Phillip Nyawere
-
2011/07/28
[Pw_forum] occupancy of the state from PDOS calculation
Gabriele Sclauzero
-
2011/07/28
[Pw_forum] Using a big box model to calculating the energy of isolated atom.
Gabriele Sclauzero
-
2011/07/28
[Pw_forum] the issues with density of state vs. energy plot
Gabriele Sclauzero
-
2011/07/27
[Pw_forum] question about LDOS calculation within boxes using pp.x
HABIBI Parwana
-
2011/07/27
[Pw_forum] Confusion in choosing rlderiv
karan deep
-
2011/07/27
[Pw_forum] Using a big box model to calculating the energy of isolated atom.
Hongsheng Zhao
-
2011/07/27
[Pw_forum] the issues with density of state vs. energy plot
Tram Bui
-
2011/07/27
[Pw_forum] How to convince QE from local lapack/blas?
Lorenzo Paulatto
-
2011/07/27
[Pw_forum] occupancy of the state from PDOS calculation
Tram Bui
-
2011/07/27
[Pw_forum] allocate_radial_grid error: mesh>ndmx
Ian Kirker
-
2011/07/27
[Pw_forum] How to convince QE from local lapack/blas?
Paolo Giannozzi
-
2011/07/27
[Pw_forum] allocate_radial_grid error: mesh>ndmx
Paolo Giannozzi
-
2011/07/27
[Pw_forum] vdw-df2
Kolb, Brian
-
2011/07/27
[Pw_forum] allocate_radial_grid error: mesh>ndmx
Amandeep Kaur
-
2011/07/27
[Pw_forum] allocate_radial_grid error: mesh>ndmx
Ian Kirker
-
2011/07/27
[Pw_forum] vdw-df2
DONG Rui
-
2011/07/27
[Pw_forum] Question about geometry relaxation
Юля Филичева
-
2011/07/27
[Pw_forum] antiferromagnetism in thin films
mohnish pandey
-
2011/07/27
[Pw_forum] phcg.x segmentation fault
Stefano Baroni
-
2011/07/27
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
Giuseppe Mattioli
-
2011/07/27
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
Seyed Javad Hashemifar
-
2011/07/27
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
gbliu
-
2011/07/27
[Pw_forum] How to convince QE from local lapack/blas?
Guntram Schmidt
-
2011/07/26
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
Seyed Javad Hashemifar
-
2011/07/26
[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?
gbliu