September 2011 Archives by thread
Starting: Thu Sep 1 08:42:12 CEST 2011
Ending: Fri Sep 30 23:25:38 CEST 2011
Messages: 317
- [Pw_forum] K POINTS
mayank gupta
- [Pw_forum] Wannier90, question about units in seedname_hr.dat
Julen Ibanez Azpiroz
- [Pw_forum] Lattice constants with vdW-DF/vdW-DF2
Ari P Seitsonen
- [Pw_forum] How to realize the parallel calculation?
陶鹏
- [Pw_forum] Problem with Bi2Se3 SCF converge
mohnish pandey
- [Pw_forum] total force and number of k-points
Elie Moujaes
- [Pw_forum] Method of computing static dielectric constant of materials
Rajan Pandey
- [Pw_forum] cannot allocate memory error
Elie Moujaes
- [Pw_forum] Problem while Reading celldm of triclinic structure
Sanjay D. Gupta
- [Pw_forum] about PWscf PP generation
Robin H
- [Pw_forum] Pw_forum Digest, Vol 51, Issue 7
Sanjay D. Gupta
- [Pw_forum] wfc files: heavy I/O, handling for restarts
Michael Sternberg
- [Pw_forum] xspectra calculation error
bamidele ibrahim
- [Pw_forum] Segmentation fault with pp.x
vkarthik
- [Pw_forum] Convergence problem with spin-polarized BLYP
lfhuang
- [Pw_forum] Quarry about special k-point
partha sarathi ghosh
- [Pw_forum] To Dr. Michele Lazzeri about write electron-phonon coupling matrix
Ying Sun
- [Pw_forum] heat capacity
Nafise Rezaei
- [Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '')
Daniel Lima
- [Pw_forum] ATOMIC_POSITIONS after 'final coordinates'
Xijun Wang
- [Pw_forum] (no subject)
Winfred Mulwa
- [Pw_forum] QHA calculated error !
lucking-pine
- [Pw_forum] All electron calculation
Tram Bui
- [Pw_forum] problems with vc-relax
Elie Moujaes
- [Pw_forum] problems in vc relax
Elie Moujaes
- [Pw_forum] Pseudopotential for Terbium in upf file
Chengyang Li
- [Pw_forum] Is it necessary to clear outdir / wfcdir before calculation?
WF
- [Pw_forum] Is it necessary to clear outdir / wfcdir
WF
- [Pw_forum] Interatomic force constant
Stefano Baroni
- [Pw_forum] local density of states on parallel planes
pari shok
- [Pw_forum] results of vc-relax
Elie Moujaes
- [Pw_forum] Ph.x problem. No results. Wrong irreducible representations number.
"Kacper Drużbicki"
- [Pw_forum] Phonones
Eric Germaneau
- [Pw_forum] Installation failure
Onaiwu Kingsley Nosa
- [Pw_forum] How to modify code and recompile?
ying.sun at gradmail.ims.uconn.edu
- [Pw_forum] Sulfur, Nitrogen, Chlorine PBE Norm-Conserving PP
"Kacper Drużbicki"
- [Pw_forum] relaxation of the 60 C atom supercell
Elie Moujaes
- [Pw_forum] Doubt in spin-orbit coupling results
Padmaja Patnaik
- [Pw_forum] PHONON ON GRID
mayank gupta
- [Pw_forum] charge density calculation with plotrho.x
Tram Bui
- [Pw_forum] LDA norm-conserving pseudopotential for Fe
helen at fh.huji.ac.il
- [Pw_forum] hybrid functionals and vc-relax calculations
Giuseppe Mattioli
- [Pw_forum] SCF errror with the converted pseudopotential
lucking-pine
- [Pw_forum] phonon dispersion from IFC
Claudio Perottoni
- [Pw_forum] Cu PP for LDA+U
Vo, Trinh (388C)
- [Pw_forum] Convergence problem with Ni/Ni3Al system
martins at if.uff.br
- [Pw_forum] regarding structural optimization
kondaiah samudrala
- [Pw_forum] modifying sumpdos.f90
maaly
- [Pw_forum] A psudopotential for Manganese (LDA NC)
giacsport at libero.it
- [Pw_forum] Error: fft order too large
WF
- [Pw_forum] from check_atoms : error #
ramesh kumar
- [Pw_forum] problem in plot bandstructure
Mahdi Faqieh nasiri
- [Pw_forum] Pw_forum Digest, Vol 51, Issue 43
maaly
- [Pw_forum] Pw_forum Digest, Vol 51, Issue 44
kondaiah samudrala
- [Pw_forum] Regarding Structral optimization
konda
- [Pw_forum] elastic constants
bhabya sahoo
- [Pw_forum] from check_atoms : error # : Problem solved
ramesh kumar
- [Pw_forum] warning: symmetry operation # x not allowed
swapnil chandratre
- [Pw_forum] about raman?
lucking-pine
- [Pw_forum] 64 bit GPU-enabled QE
Giovani Faccin
- [Pw_forum] pw.x error running on cluster
Ren PJ
- [Pw_forum] Doping semiconductor
bamidele ibrahim
- [Pw_forum] Ge pseudopotential
damien
- [Pw_forum] hgh to UPF
giacsport at libero.it
- [Pw_forum] BltzTrap interface
Payam Norouzzadeh
- [Pw_forum] problems with examples
Jose Luis Gordillo Ruiz
- [Pw_forum] Xe pseudopotentials
Chen, Zhifan
- [Pw_forum] .SAVE files
pari shok
- [Pw_forum] cluster timing & delay -v.lousy way-
Mona M.O. Elfadil
- [Pw_forum] BoltzTrap interface
Payam Norouzzadeh
- [Pw_forum] charge density plot in xcrysden
Tram Bui
- [Pw_forum] Questions about pseudopotential generation.
Daniel Lima
- [Pw_forum] FFT on a small mesh
dario rocca
- [Pw_forum] LDA norm-conserving pseudopotential for Fe: to Pengju Ren
helen at fh.huji.ac.il
- [Pw_forum] epsilon.x and scissor shift renormalization of momentum operator
Eduardo Ariel Menendez Proupin
- [Pw_forum] NEB procedure
Ettore Baldini-Neto
- [Pw_forum] from cp_read_cell : error # 2
Luis Antonio Leon Martinez
- [Pw_forum] stable phase
bhabya sahoo
- [Pw_forum] Other example with cpx problem on qe-43
Luis Antonio Leon Martinez
- [Pw_forum] Symmetry problem in phonon
mayank gupta
- [Pw_forum] charge density map
Tram Bui
- [Pw_forum] semi conducting / metallic
swapnil chandratre
- [Pw_forum] band structure calculation
Tram Bui
- [Pw_forum] Does VCA method give positive formation energy?
GAO Zhe
- [Pw_forum] LDOS on parallel planes
pari shok
- [Pw_forum] a request
Mehrnoosh Hazrati
- [Pw_forum] Problem of the energy of orbital in ld1.x with PDOS
WF
- [Pw_forum] error in example01
Mahdi Faqieh nasiri
- [Pw_forum] Too many bands are not converged from nscf calculation
Zhiting Tian
- [Pw_forum] DOS calculation for hexagonal Ge2Sb2Te5 (GST)
henry odhiambo
- [Pw_forum] Problem of the energy of orbital in ld1.x with
WF
- [Pw_forum] mpif90 compiler that uses ifort
Ahmad Yassin
- [Pw_forum] Finding effective mass
Padmaja Patnaik
- [Pw_forum] PostProcessing the .save file on another machine
vkarthik
- [Pw_forum] Magnetic Anisotropy using PAW
Izaak Williamson
- [Pw_forum] problem about ibrav no.
amar shugani
- [Pw_forum] problem in xspectra calculations
Niharika Joshi
- [Pw_forum] Charge density: what min and max values represent?
Tram Bui
- [Pw_forum] Error running dos.x
Zhiting Tian
- [Pw_forum] projwfc.x error
Zhiting Tian
- [Pw_forum] Graphene Sheet with Antidots
swapnil chandratre
- [Pw_forum] installing input file builder: gdis-0.99
He Jinghui
- [Pw_forum] Spin polarization
Éric Germaneau
- [Pw_forum] ESM and spin polarized ionic relaxations
Alejandro Suarez
- [Pw_forum] GADGET and PWSCF
Alex Shearer
Last message date:
Fri Sep 30 23:25:38 CEST 2011
Archived on: Wed Feb 28 11:07:26 CET 2018
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