May 2010 Archives by thread
Starting: Sat May 1 06:06:42 CEST 2010
Ending: Mon May 31 22:09:50 CEST 2010
Messages: 359
- [Pw_forum] LDA+U and spin orbit couple
ads5ads5
- [Pw_forum] regular k-point grid
shudong wang
- [Pw_forum] phonon dispersion relation
0930hanbin
- [Pw_forum] External electric field
davood Vahedi
- [Pw_forum] About the mean square displacement in CP output
Sandro Scandolo
- [Pw_forum] band calculation:chosing a specific band
Parwana HABIBI
- [Pw_forum] workshop reminder
marsamos at democritos.it
- [Pw_forum] Implementation of DOS in real space
Guido Fratesi
- [Pw_forum] the potential of core electron
Giuseppe Mattioli
- [Pw_forum] add or remove electron energy
kazempoor at ph.iut.ac.ir
- [Pw_forum] autopilot-example
Daniel Forrer
- [Pw_forum] Occupations
Masoud Nahali
- [Pw_forum] a question about the name ESPRESSO
lfhuang
- [Pw_forum] About q point parallelization
Huiqun Zhou
- [Pw_forum] error with FeN phonon
Himadri Soni
- [Pw_forum] degauss
raheleh vaziri
- [Pw_forum] Error with Xcryden for view input and output of pwscf file
josepht at chips.ncsu.edu
- [Pw_forum] spin-polarized projwf option in cp.x
Giuseppe Mattioli
- [Pw_forum] Phonon_quarry
partha sarathi ghosh
- [Pw_forum] one question about the hybrid calculation
lfhuang
- [Pw_forum] ABINIT-QE conversion
Jan Gryko
- [Pw_forum] Re : Occupations
Masoud Nahali
- [Pw_forum] General question about occupations
Julen Ibanez Azpiroz
- [Pw_forum] About example07
shudong wang
- [Pw_forum] NEB calculation
Nay Lin
- [Pw_forum] Point Group from phonon calculation
Izaak Williamson
- [Pw_forum] relax
Olga Sedelnikova
- [Pw_forum] Installation Problems: Can not found MKL
Weiguang Chen
- [Pw_forum] GWW+U
Geoffrey Stenuit
- [Pw_forum] Hybridization
kazempoor at ph.iut.ac.ir
- [Pw_forum] Postprocessing code
Bertrand SITAMTZE
- [Pw_forum] Bader and LOwdin analysis
mohnish pandey
- [Pw_forum] Lowdin and Bader analysis
mohnish pandey
- [Pw_forum] Fw : Postprocessing code
Bertrand SITAMTZE
- [Pw_forum] Quantum ESPRESSO v.4.2
Paolo Giannozzi
- [Pw_forum] jagged phonon dispersion in graphene
Elie Moujaes
- [Pw_forum] Low speed
mohsen modaresi
- [Pw_forum] Is there PBE UPF for K element ?
李斌
- [Pw_forum] 2 question about parallel computing and Imaginary part of dielectric
mohsen modaresi
- [Pw_forum] 回复: Pw_forum Digest, Vol 35, Issue 25
李斌
- [Pw_forum] phonon lifetime
shudong wang
- [Pw_forum] Quantum ESPRESSO v.4.2 - Examples -results
Madan Mithra. L. M
- [Pw_forum] ESPRESSO-4.2
shudong wang
- [Pw_forum] What is the unit of q point in ph.x output file?
xirainbow
- [Pw_forum] Question on epsilon.x
Vidur Parkash
- [Pw_forum] Doubt in starting magnetization value
Padmaja Patnaik
- [Pw_forum] How to specify spin for individual atoms
Bipul Rakshit
- [Pw_forum] band jagged
shudong wang
- [Pw_forum] parallel compilation
Kopinjol Baishya
- [Pw_forum] failure to restart a cp calculation from pwscf restart files in spin polarized cases
jia chen
- [Pw_forum] Pw_forum Digest, Vol 35, Issue 29
Padmaja Patnaik
- [Pw_forum] PAW pseudopotentials in QE
P.Canepa
- [Pw_forum] Stress contraint
loc duong ding
- [Pw_forum] wyckoff position builder
marsamos at democritos.it
- [Pw_forum] MKL libraries
Vo, Trinh (388C)
- [Pw_forum] error # 800
Masoud Nahali
- [Pw_forum] negative frequency
partha sarathi ghosh
- [Pw_forum] About the "pseudo-gen.txt" file
Reza Ebraahimi
- [Pw_forum] Visualization of Results
Vikas Varshney
- [Pw_forum] missing cell_dofree options
Javier Fuhr
- [Pw_forum] phonon modes for transition state
Stephan Rix
- [Pw_forum] thank you for your contributions to Wyckoff builder
marsamos at democritos.it
- [Pw_forum] Question about plotting DOS
kajal jindal
- [Pw_forum] input graphene
chaou oum
- [Pw_forum] Supercells
Bertrand SITAMTZE
- [Pw_forum] pseudo
Suza W
- [Pw_forum] dipole moment of thin film
mohnish pandey
- [Pw_forum] dipole moment of thin polar films
mohnish pandey
- [Pw_forum] Pseudopotential for "hydrogen-like atoms" or "pseudo hydrogens"
柯常
- [Pw_forum] generation of pseudopotential for Ho?
sonu kumar
- [Pw_forum] cd tests
moi moi
- [Pw_forum] About F_QHA.x
Yamit
- [Pw_forum] internal error, cannot braket Ef
shu xu
- [Pw_forum] 'how to plot the sawtooth potential'
Francesca Costanzo
- [Pw_forum] (no subject)
eli
- [Pw_forum] ATLAS DSYGVX problem + mailing list question
Riccardo Di Meo
- [Pw_forum] input bands energie graphene Fermi Suface
chaou oum
- [Pw_forum] problems with tpss pseudopotential
shu xu
- [Pw_forum] Cannot converge a calculation
Shaptrishi Sharma
- [Pw_forum] how to deal with the IR calculation for a metal--no smearing option in scf can not convergence
xu yuehua
- [Pw_forum] Help regarding the generation of Pseudopotentials for rare earths?
sonu kumar
- [Pw_forum] Parallel installation MPIF90 issue
Vikas Varshney
- [Pw_forum] Question about qexml.f90 in PP sudirectory
Alejandro Rébola
- [Pw_forum] something wrong D_2h
Ion Errea Lope
- [Pw_forum] a2Fq2r.*
Hahnbidt Rhee
- [Pw_forum] Spin polarized option for tetragonal
Vi Vo
- [Pw_forum] Hse & PBE0
ali kazempour
- [Pw_forum] comparsion of Rusult with reported one (Imaginary part of dielectric function)
mohsen modaresi
- [Pw_forum] number of k-point
davood Vahedi
- [Pw_forum] Phonon calculations on the Grid
shiningstar
- [Pw_forum] Orthorhombic
Suza W
- [Pw_forum] Strain Tensor
savaş ağduk
- [Pw_forum] Norm-conserving Zn/In/Ga pseudopotential
li niu
- [Pw_forum] corporate usage of Quantum ESPRESSO
Stefano Baroni
- [Pw_forum] how to do fixed volume optimization
Kun Yin
- [Pw_forum] Pw_forum Digest, Vol 35, Issue 61
Thaneshwor Kaloni
- [Pw_forum] merging results of individual k points phonon calculation
Payam Norouzzadeh
- [Pw_forum] IR-Raman calcualtion
loc duong ding
- [Pw_forum] quenching input file example
chenjie gu
- [Pw_forum] plotting orbital
seunghwan lee
- [Pw_forum] Job crashes on multiple nodes
Wolfgang Gehricht
- [Pw_forum] DFT+U AND GW
giacsport at libero.it
- [Pw_forum] USPP and Raman
Q.J.Wang
- [Pw_forum] Pw_forum Digest, Vol 35, Issue 63
loc duong ding
- [Pw_forum] Is it possible to calculate the phonon dos for each branch?
Yamit
- [Pw_forum] Magnetic Field
Arles V. Gil Rebaza
- [Pw_forum] calculation with magnetic field
Arles V. Gil Rebaza
- [Pw_forum] About GWW
shudong wang
- [Pw_forum] Computing Second order response
loc duong ding
Last message date:
Mon May 31 22:09:50 CEST 2010
Archived on: Wed Feb 28 11:05:39 CET 2018
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