Messages by Thread
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[Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP
Sven Heiles
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[Pw_forum] too many bands are not converged
bf azi
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[Pw_forum] Regarding anharmonic IFCs
david yang
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[Pw_forum] cutoff convergence of sapphire for elastic properties
Jörg Buchwald
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[Pw_forum] Magnetic susceptibility in GIPAW calculation
Peng Tao
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[Pw_forum] smearing and electronic temperture
bhabya sahoo
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[Pw_forum] Work function calculation
vasudevan m.v
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[Pw_forum] QHA compilation
Abolore Musari
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[Pw_forum] HSE&PBE0 problem
debbichi mourad
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[Pw_forum] Force constants
Iyad AL-QASIR
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[Pw_forum] regarding weight factor
himan...@iopb.res.in
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[Pw_forum] Conversion from conventional to primitive cell
Peng Chen
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[Pw_forum] V_tot potential curve of vdw-DF is not smooth away from nuclei
PJ Ren
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[Pw_forum] How can I get the Tc Hopfield parameter and the average of the squared phonon frequencies.
Wei Zhou
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[Pw_forum] chemical potential of an element
vicky singh
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[Pw_forum] Polarization vectors and force constants file format
Iyad AL-QASIR
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[Pw_forum] PAW pseudopotential with gipaw reconstruction
Giuseppe Mattioli
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[Pw_forum] nk1,nk2,nk3 selection rule for HCP
Divya Srivastava
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[Pw_forum] Job Termination and convergence
Victor Meng'wa
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[Pw_forum] KZK functional
Sam Azadi
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[Pw_forum] benzoic acid structure optimization
matt reish
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[Pw_forum] Regarding instillation problem in cluster system
himan...@iopb.res.in
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[Pw_forum] PP conversion from ABINIT format to UPF format
mayank gupta
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[Pw_forum] problems in generating pseudopotentials
mohamed makhyoun
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[Pw_forum] Input preparation
Vasumathi Velachi
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[Pw_forum] download MD Slides from QE website?
Sonu Kumar
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[Pw_forum] Input help
matt reish
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[Pw_forum] optical properties (bhabya sahoo)
Eduardo Ariel Menendez Proupin
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[Pw_forum] optical properties
bhabya sahoo
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[Pw_forum] absorption
bf azi
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[Pw_forum] question report
孟祥颖
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[Pw_forum] convergence not achieved .related problem
m rostami
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[Pw_forum] pw bands calculation crash
Davide Tiana
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[Pw_forum] convergence NOT achieved after 100 iterations: stopping
Cao TF
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[Pw_forum] hse performance
kazemp...@ph.iut.ac.ir
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[Pw_forum] Error in running the scf calculation with espresso-4.2
pankaj sahota
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[Pw_forum] Contents of Pw_forum Digest, Vol 58, Issue 41Re: using Octave or GDIS to make the surface (m)
Davide Tiana
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[Pw_forum] query on kpoints.x
Ajit Vallabhaneni
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[Pw_forum] using Octave or GDIS to make the surface
meghdad saeedian
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[Pw_forum] Fw: Re: mp vs mv
Farzad Molani
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[Pw_forum] XSPECTRA calculations of molecules
Giuseppe Mattioli
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[Pw_forum] mp vs mv
Farzad Molani
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[Pw_forum] Home page: problem to load
Pedro Augusto F. P. Moreira
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[Pw_forum] Fe pseudopotential (pslibrary) test failed
Peng Chen
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[Pw_forum] LDA+U with phonon
Sanjeev Gupta
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[Pw_forum] Problem in vc-relax, radial FFT
Ali ALLAM
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[Pw_forum] Pw_forum Digest, Vol 58, Issue 33
YY
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[Pw_forum] error in volume calculation in ibrav=7
bramha pandey
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[Pw_forum] on the way of approximating a large slab
Yavar Taghipour Azar
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[Pw_forum] Error band structure
Said Asma
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[Pw_forum] How to get atomic positions for TiO2
Olayinka, Samson A.
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[Pw_forum] regarding problem in bands structure calculation
jagaran Acharya
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[Pw_forum] lambda(omega)
bahadir
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[Pw_forum] About the size of electrode
pankaj sahota
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[Pw_forum] supercell in matdyn.x
babr aram
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[Pw_forum] Error in getting the transmission while doing the transport calculation
pankaj sahota
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[Pw_forum] piezoelectric
Amir hosseini
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[Pw_forum] bismuth fully relativistic pseudopotential needed
陈建勇
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[Pw_forum] epsilon.x
debbichi mourad
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[Pw_forum] Quantum Espresso Workshop (Jun 25 - Jun 29 /2012, Penn State Univ., PA, USA)
Paolo Giannozzi
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[Pw_forum] serial or parallel computation in electron-phonon matrix integration
Junhyeok Bang
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[Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer
Elie M
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[Pw_forum] Regarding GAMMA kpoint
bramha pandey
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[Pw_forum] DLASCL error on some architectures/QE versions
Rodrigo Neumann
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[Pw_forum] forming supercell for a (10, 0) nanotube attached to polymers and oligomers
Elie M
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[Pw_forum] phonon dynamical matrix and eigenvectors
Bo Qiu
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[Pw_forum] two program logic questions in TDDFPT
kuilin lu
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[Pw_forum] freeing memory after end of pw.x calculation
Marcos Veríssimo Alves
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[Pw_forum] vizualizing the molecular dynamics of graphene
Elie M
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[Pw_forum] problem regrading convergence
bramha pandey
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[Pw_forum] visualizing results of molecular dynamics using XCRYSDEN
Elie M
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[Pw_forum] Tunneling density of states using pwcond
Jonathan Trinastic
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[Pw_forum] Phonon LO-TO splitting in semiconductor with smearing
Hans Lind
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[Pw_forum] offset in QE 4.2 and QE 4.3
Hanghui Chen
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[Pw_forum] error in average.x calculation
Tram Bui
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[Pw_forum] ecutrho in phonon calculations
YY