May 2009 Archives by thread
Starting: Fri May 1 07:50:56 CEST 2009
Ending: Sun May 31 23:18:26 CEST 2009
Messages: 342
- [Pw_forum] Conjugate Gradient minimization not converged after 50 iterations
Jonas Baltrusaitis
- [Pw_forum] charge density units?
K V Vamsi
- [Pw_forum] DOS virtual band calculations
Jonas Baltrusaitis
- [Pw_forum] Compilation issue (phenom II and ACML)
Vit
- [Pw_forum] dos
yaldaa kh
- [Pw_forum] phonon calculation for large system
Paolo Giannozzi
- [Pw_forum] problem with installing Quantum ESPRESSO CVS version
shruba at gmail.com
- [Pw_forum] bulk module (orthorhombic)
meghdad saeedian
- [Pw_forum] Band Structure/graphene
nazari at iasbs.ac.ir
- [Pw_forum] Quantum Espresso
Apu Sarkar
- [Pw_forum] Virtual crystal approximation?
Stefano de Gironcoli
- [Pw_forum] dos
yaldaa kh
- [Pw_forum] bonding charge density.
K V Vamsi
- [Pw_forum] Pw_forum Digest, Vol 23, Issue 11
K V Vamsi
- [Pw_forum] charge density plots.
K V Vamsi
- [Pw_forum] vc-relax
ali kazempoor
- [Pw_forum] GGA functional
Mansoureh Pashangpour
- [Pw_forum] Documentation on El-Ph coupling
David Tompsett
- [Pw_forum] How does the damped ion dynamics work?
Tim Teatro
- [Pw_forum] Empirical van-der-waals correction
yuning wu
- [Pw_forum] QE 4.0.5 pseudopotencials
Karoly Nemeth
- [Pw_forum] OpenMPI or not?
Vit
- [Pw_forum] How to do vc-relax in CP code?
程迎春
- [Pw_forum] QE 4.0.5 pseudopotencials
Karoly Nemeth
- [Pw_forum] Format of dynamical matrices
Cristian Degli Esposti Boschi
- [Pw_forum] periodic boundary condition
mohaddeseh abbasnejad
- [Pw_forum] Pw_forum Digest, Vol 23, Issue 23
Karoly Nemeth
- [Pw_forum] Format of dynamical matrices
Raji Abdulrafiu
- [Pw_forum] ion relaxation
mohaddeseh abbasnejad
- [Pw_forum] Format of dynamical matrices
Cristian Degli Esposti Boschi
- [Pw_forum] Using q point parallelization
Huiqun Zhou
- [Pw_forum] how to control Berry Phase convergence
xylnew
- [Pw_forum] monoclinic cell definition question
Jonas Baltrusaitis
- [Pw_forum] no frequency and mode symmetry output in case.phG.out
wangweiphysics at yahoo.com.cn
- [Pw_forum] Hartree-Fock calculation
mohaddeseh abbasnejad
- [Pw_forum] QE 4.0.5 pseudopotencials
Karoly Nemeth
- [Pw_forum] Doubt in magnetic behaviour
Padmaja Patnaik
- [Pw_forum] monoclinic cell definition question
jasius_1 at yahoo.com
- [Pw_forum] van der waals force
Mehrnaz Anvari
- [Pw_forum] monoclinic cell definition question
Jonas Baltrusaitis
- [Pw_forum] Dear all,Does anybody calculate Dysprosium?
文沈
- [Pw_forum] structure optimization with LDA+U
Jun Dai
- [Pw_forum] run PWscf on national grid service in UK
Pieremanuele Canepa
- [Pw_forum] structure optimization with LDA+U
Jun Dai
- [Pw_forum] structure optimization with LDA+U
Jun Dai
- [Pw_forum] unitary matrix u
Kostyantyn Borysenko
- [Pw_forum] Documentation on El-Ph coupling
Eyvaz Isaev
- [Pw_forum] elastic properties of orthorhombic structure
kada galami
- [Pw_forum] elastic properties of orthorhombic structure
Eyvaz Isaev
- [Pw_forum] Time of phonon calculation
Ruslan S. Yagufarov
- [Pw_forum] stack smashing error
marc at fq.edu.uy
- [Pw_forum] Doubt in magnetic behaviour
Padmaja Patnaik
- [Pw_forum] elastic properties of orthorhombic structure
Eyvaz Isaev
- [Pw_forum] question about elphonon calculation
潘登
- [Pw_forum] van der waals force
Mehrnaz Anvari
- [Pw_forum] The scf can't converge
wangwei
- [Pw_forum] van der waals force (Mehrnaz Anvarir)
Andrea Vittadini
- [Pw_forum] Hubbard U and small degauss ...
Naol Regassa
- [Pw_forum] The scf can't converge
wangweiphysics at yahoo.com.cn
- [Pw_forum] question about elphonon calculation
Mozahar Ali
- [Pw_forum] question about elphonon calculation
Eyvaz Isaev
- [Pw_forum] monoclinic cell definition question
Jonas Baltrusaitis
- [Pw_forum] Electron-Phonon: loading dVscf file when ldisp=.TRUE.
Andrea Marini
- [Pw_forum] problem about DeltaVscf file missing
潘登
- [Pw_forum] s_psi_nc_
clie
- [Pw_forum] Install PWSCF
leila salimi
- [Pw_forum] lambda.f90
Eyvaz Isaev
- [Pw_forum] k and q points
Ali Tavana
- [Pw_forum] Re hubbard U and stable structure
Naol Regassa
- [Pw_forum] Install PWSCF
Eyvaz Isaev
- [Pw_forum] s_psi_nc_ (Lorenzo Paulatto)45
clie
- [Pw_forum] van der waals force
Mehrnaz Anvari
- [Pw_forum] Installing QE 4.0.5 on Mac Pro
Cristian Degli Esposti Boschi
- [Pw_forum] Questions about nscf calculation
孙阳
- [Pw_forum] Question about wavefunction, reciporcal lattice and elphon matrix
DdrSmiLe
- [Pw_forum] K points in scf calculation
Dimpy Sharma
- [Pw_forum] CONSTRAINT card
Vivek Ranjan
- [Pw_forum] Coordinate transorms: Crystal to Cartesian and back
Kostyantyn Borysenko
- [Pw_forum] Coordinate transorms: Crystal to Cartesian and back
Kostyantyn Borysenko
- [Pw_forum] Re: Coordinate transorms: Crystal to Cartesian and back (Dal Corso Andrea)
Kostyantyn Borysenko
- [Pw_forum] DFT +U difficult compiling comp_resp_mat.j
Pieremanuele Canepa
- [Pw_forum] DFT +U difficult compiling comp_resp_mat.j
Pieremanuele Canepa
- [Pw_forum] DFT +U difficult compiling comp_resp_mat.j
pc229 at kent.ac.uk
- [Pw_forum] Optical phonon convergence at Gamma-point
Sophia Nishad
- [Pw_forum] question about the format of gam.lines generated by matdyn.x
mat
- [Pw_forum] question about the format of gam.lines generated by matdyn.x
mat
- [Pw_forum] temperature
ali kazempoor
- [Pw_forum] van der waals force
Mehrnaz Anvari
- [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U
Pieremanuele Canepa
- [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U
Hou Dong
- [Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U
Axel Kohlmeyer
- [Pw_forum] Molybdenum pseudopotentials
isaac motochi
- [Pw_forum] scf calculation
Dimpy Sharma
- [Pw_forum] Installing QE 4.0.5 on Mac Pro
Cristian Degli Esposti Boschi
- [Pw_forum] Hello, everybody, questions about the calculation about the rare earth material Dy
文沈
- No subject
- No subject
- No subject
- [Pw_forum] input for resp_mat.x in to optimize the U for LDA+U calculations
Pieremanuele Canepa
- [Pw_forum] inhomogeneous K-point sampling
Aritz Leonardo Liceranzu
- [Pw_forum] LSDA+U bandstructure
Ali Tavana
- [Pw_forum] LSDA+U phonons
Ali Tavana
- [Pw_forum] input for resp_mat.x in to optimize the U for LDA+U calculations
pc229 at kent.ac.uk
- [Pw_forum] Pw_forum Digest, Vol 23, Issue 64
Ali Tavana
- [Pw_forum] Installing QE 4.0.5 on Mac Pro
Cristian Degli Esposti Boschi
- [Pw_forum] (no subject)
Ali Tavana
- [Pw_forum] Fermi energy
孙阳
- [Pw_forum] Saving the ion velocities
Laura Henderson
- [Pw_forum] deguss
yaldaa kh
- [Pw_forum] Compilation Error on BlueGene/L
Raj Pandey
- [Pw_forum] atom occupied factor
Javier Camarillo Cisneros
- [Pw_forum] about atom occupied factor
Javier Camarillo Cisneros
- [Pw_forum] SCF correction problem in relaxation
Jhon W. González
- [Pw_forum] elastic properties of orthorhombic structure
kada galami
- [Pw_forum] VdM force
Mehrnaz Anvari
- [Pw_forum] wrong record length
Ary Junior
- [Pw_forum] choosing ecutwfc through vc-rx
Mehrnaz Anvari
- [Pw_forum] gamma phonongs for alloys
Sophia Nishad
- [Pw_forum] about atom occupied factor
Javier Camarillo Cisneros
- [Pw_forum] Is 'stm_wfc_matching' option operational?
pushpa raghani
Last message date:
Sun May 31 23:18:26 CEST 2009
Archived on: Tue Jun 23 07:34:56 CEST 2009
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