June 2009 Archives by thread
Starting: Mon Jun 1 00:23:23 CEST 2009
Ending: Tue Jun 30 20:54:58 CEST 2009
Messages: 349
- [Pw_forum] Is 'stm_wfc_matching' option operational?
Axel Kohlmeyer
- [Pw_forum] will mixing_beta affect the calculation result?
Axel Kohlmeyer
- [Pw_forum] charge state
ali kazempoor
- [Pw_forum] about Pseudopotential generation
Bipul Rakshit
- [Pw_forum] separating optical and acoustic phonon modes
Sophia Nishad
- [Pw_forum] which pseudopotential are LDA+GGA
Padmaja Patnaik
- [Pw_forum] separating optical and acoustic phonon modes
Eyvaz Isaev
- [Pw_forum] constrained_magnetization
chu-chun fu
- [Pw_forum] Different results
Rafael Julian Gonzalez Hernandez
- [Pw_forum] choosing ecutwfc through vc-rx
Mehrnaz Anvari
- [Pw_forum] Dispersion interaction in PWscf
loc duong ding
- [Pw_forum] Error after compile with -i8 ifort option
Ary Junior
- [Pw_forum] Calculation at high pressure
Bipul Rakshit
- [Pw_forum] Installing QE 4.0.5 on Mac Pro 64-bit and gfortran
Cristian Degli Esposti Boschi
- [Pw_forum] SCF correction problem in relaxation
Jhon W. González
- [Pw_forum] problem in updating cvs version
Bipul Rakshit
- [Pw_forum] Problem with parallel running by mpich2
loc duong ding
- [Pw_forum] temperature dependent density functional theory
Hongsheng Zhao
- [Pw_forum] charhe simulation
ali kazempour
- [Pw_forum] How to set the ensemble when doing molecule dynamics calculation with pw.x
Lu Yunhao
- [Pw_forum] missing q-points
Mehrnaz Anvari
- [Pw_forum] gipaw quartz example
Goranka Bilalbegovic
- [Pw_forum] EXX routine
Helen
- [Pw_forum] missing q-points
Eyvaz Isaev
- [Pw_forum] about forces in CP chemical reactions
marc at fq.edu.uy
- [Pw_forum] can the pwscf soft do optical conductivity calculations?
Wei Zhou
- [Pw_forum] vc-relax
ali kazempour
- [Pw_forum] How to set the ensemble when doing molecule
Lu Yunhao
- [Pw_forum] Problem with parallel running by mpich2
loc duong ding
- [Pw_forum] Problem when compile Quantum espresso (CVS)
loc duong ding
- [Pw_forum] [Fwd: Re: [Fwd: gipaw quartz example]]
Nicola Marzari
- [Pw_forum] How to set the ensemble when doing molecule
Lu Yunhao
- [Pw_forum] 答复: How to set the ensemble when doing molecule
Lu Yunhao
- [Pw_forum] Problem when compile Quantum espresso (CVS)
loc duong ding
- [Pw_forum] LDA pseudo for F
Ricardo Faccio
- [Pw_forum] Problem with running CP
Amos Leffler
- [Pw_forum] How to set the ensemble when doing MD
Lu Yunhao
- [Pw_forum] missing q-points
Mehrnaz Anvari
- [Pw_forum] missing q-points
Eyvaz Isaev
- [Pw_forum] Doping
nahid bd
- [Pw_forum] File closing errors when using NEB image parallelization
J. J. Ramsey
- [Pw_forum] installing OpenMPI and Quantum Espresso on a Mac OS X system
Alain Jacques
- [Pw_forum] Fully relativistic pseudo potential for Ti
pushpa raghani
- [Pw_forum] full-relativistic PP
Mighfar Imam
- [Pw_forum] gap from DOS and bandstructure
Mansoureh Pashangpour
- [Pw_forum] Binding energy of P-dpoed Si
Vo, Trinh
- [Pw_forum] Pseudoprotential for Europium
潘登
- [Pw_forum] Dear all, where can I get the detailed instructions to get the right pseudopotentials?
文沈
- [Pw_forum] Surface Stress
Carlos Eduardo Viol Barbosa
- [Pw_forum] single and triplet states
ali kazempour
- [Pw_forum] single and triplet states
ali kazempour
- [Pw_forum] QE 4.0.5 64-bit serial installed on Mac Pro with gcc 4.3.3 and gfortran
Cristian Degli Esposti Boschi
- [Pw_forum] homo-lumo and conductance
ambavale sagar
- [Pw_forum] B_field
孙阳
- [Pw_forum] homo-lumo and conductance
ambavale sagar
- [Pw_forum] difference between sawlike and homogeneous electric field?
Y.P.Wang
- [Pw_forum] Elastic Constant.
Bipul Rakshit
- [Pw_forum] restart-mod
yaldaa kh
- [Pw_forum] inputs for structure
潘登
- [Pw_forum] missing q point
Mehrnaz Anvari
- [Pw_forum] structure of graphite
潘登
- [Pw_forum] doubt about documentation of QE
shypirate
- [Pw_forum] fileutil ?
Nicola Marzari
- [Pw_forum] ld1.x testing mode
hichem bouderba
- [Pw_forum] hi, everybody, can anybody explain me what the problem it is here?
文沈
- [Pw_forum] Dear all, a question about the tabd.f90 file
文沈
- [Pw_forum] about superconducting Tc
Mozahar Ali
- [Pw_forum] about superconduting Tc
Mozahar Ali
- [Pw_forum] about superconduting Tc
Eyvaz Isaev
- [Pw_forum] How to start and use QE open source simulation
yoseph Getachew
- [Pw_forum] Apology
Huiqun Zhou
- [Pw_forum] Pw_forum Digest, Vol 24, Issue 30
ambavale sagar
- [Pw_forum] homo-lumo and conductance
ambavale sagar
- [Pw_forum] Which part is the main potential for obtaining the work function?
Weiguang Chen
- [Pw_forum] phonon dispersion calculation abruptly stops
Eyvaz Isaev
- [Pw_forum] phonon dispersion calculation abruptly stops
Eyvaz Isaev
- [Pw_forum] missing q point
Mehrnaz Anvari
- [Pw_forum] How to start and use QE open source simulation
Naol Regassa
- [Pw_forum] wrong graphite band structure
潘登
- [Pw_forum] wrong graphite band structure (??)
Andrea Vittadini
- [Pw_forum] please help quick
samad zare
- [Pw_forum] please help quick
Eyvaz Isaev
- [Pw_forum] Proper use of mp_barrier()
Jeffrey Mullen
- [Pw_forum] Proper use of mp_barrier
Jeffrey Mullen
- [Pw_forum] Proper use of mp_barrier
Jeffrey Mullen
- [Pw_forum] Calculation of affinity energy and ionization
Vo, Trinh
- [Pw_forum] Cannot match namelist object name ZnO
wangqj1
- [Pw_forum] Doubt in eigenvalues
Padmaja Patnaik
- [Pw_forum] radius distribution function
JAY
- [Pw_forum] eigenvalues not converged
Mozahar Ali
- [Pw_forum] frequency in gamma point
Mehrnaz Anvari
- [Pw_forum] what's the difference between 'md' in pw.x and cp.x
vega lew
- [Pw_forum] Transport calculation tutorials
Zubaer Hossain
- [Pw_forum] Separating Raman modes
Jonathan
- [Pw_forum] Zero of the electrostatic potential ?
Vladan Stevanovic
- [Pw_forum] smaller band gaps
Naol Regassa
- [Pw_forum] radius distribution function (Pw_forum Digest, Vol 24, Issue 49)
JAY
- [Pw_forum] hybrid functional and Wannier functions
lan haiping
- [Pw_forum] Phonon weirdness with matdyn
Miguel Martínez
- [Pw_forum] frequency in gamma point
Mehrnaz Anvari
- [Pw_forum] CVS
Mehrnaz Anvari
- [Pw_forum] Phonon weirdness with matdyn
Eyvaz Isaev
- [Pw_forum] energy origin in espresso
ambavale sagar
- [Pw_forum] Problem in compilation
Padmaja Patnaik
- [Pw_forum] Electronic thermal conductivity
lfhuang
- [Pw_forum] smaller band gaps
Naol Regassa
- [Pw_forum] error message: from set_irr: error # 1, one mode is zero
xwzhang
- [Pw_forum] Constrained U calculations
Ali Tavana
- [Pw_forum] Ni and Pt: LDA relativistic potential
mousumi uk
- [Pw_forum] Electronic thermal conductivity (ElecTC)
lfhuang
- [Pw_forum] Pw_forum Digest, Vol 24, Issue 55
ambavale sagar
- [Pw_forum] Installation pwscf
leila salimi
- [Pw_forum] install pwscf
leila salimi
- [Pw_forum] reversible transition
Bipul Rakshit
- [Pw_forum] Lu pseudopotential required
Sergey Streltsov
- [Pw_forum] cvs
Mehrnaz Anvari
- [Pw_forum] the sum of the born effective charge in phonon calculation
程迎春
- [Pw_forum] Stress calculation in quantum espresso
Dimpy Sharma
- [Pw_forum] Pw_forum Digest, Vol 24, Issue 58
leila salimi
- [Pw_forum] GPGPU Programming summer school at University of Tennessee, Aug 10-14.
Axel Kohlmeyer
- [Pw_forum] atomic position relaxition under electric field
shypirate
- [Pw_forum] Pw_forum Digest, Vol 24, Issue 61
shypirate
- [Pw_forum] Question about P= pressure
Bipul Rakshit
- [Pw_forum] Error in dynmat.x calculation.
MATEUS JOSÉ FERNANDES MARTINS
- [Pw_forum] WIEN2k interface
Lex Kemper
Last message date:
Tue Jun 30 20:54:58 CEST 2009
Archived on: Tue Jun 30 20:55:02 CEST 2009
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