April 2015 Archives by thread
Starting: Wed Apr 1 05:19:06 CEST 2015
Ending: Thu Apr 30 19:13:06 CEST 2015
Messages: 216
- [Pw_forum] Gaussian/Lorentzian broadening
Amin Torabi
- [Pw_forum] Is there any way to reduce to the size of the output directory ?
Sajid Ali
- [Pw_forum] [Q-e-developers] Problem with Bands.x calculation
Filippo Spiga
- [Pw_forum] electronic calculation of nanosystem Si quantum dot
sapna bondwal
- [Pw_forum] pwscf 'Relax' problem
Konrad Gruszka
- [Pw_forum] Pw_forum Digest, Vol 93, Issue 1
Gul Rahman
- [Pw_forum] Running scf for C2B10H12
amosleff at gmail.com
- [Pw_forum] band gap using gwl
Mahmoud Hammouri
- [Pw_forum] Optical properties in Quantum Espresso
Winfred Mulwa
- [Pw_forum] libxc with QE
plgong
- [Pw_forum] Exchange-correlation correction
plgong
- [Pw_forum] (no subject)
sakthivel durai
- [Pw_forum] about overwriting of wavefunctions
Bipul Rakshit
- [Pw_forum] Problem with TiO2 (anatase) band structure
Sadegh Ghaderzadeh
- [Pw_forum] how to install QE linking with libxc
plgong
- [Pw_forum] QE_Parallel
Gul Rahman
- [Pw_forum] How to run some jobs subsequently?
Mojtaba Mirseraji
- [Pw_forum] Problem with "diagonalization (ZHEGV*) failed " in WC pseudopotentials (PAW and Ultrasoft)
Mojtaba Mirseraji
- [Pw_forum] How to optimize the BaTiO3 tetragonal structure?
Mojtaba Mirseraji
- [Pw_forum] magnetization
senaguler at trakya.edu.tr
- [Pw_forum] computation of parity of electronic wave function
Rajdeep Banerjee
- [Pw_forum] Building molecules
Saisudhakar
- [Pw_forum] help needed on PP
TIMOTHY UTO
- [Pw_forum] Regarding (Nudged Elastic Band) NEB calculation
Rameswar Bhattacharjee
- [Pw_forum] factional co-ordinate input to QE
janardhan H.L.
- [Pw_forum] phonon
Masoud Avi
- [Pw_forum] Regrading nudged elastic band(NEB) model
Rameswar Bhattacharjee
- [Pw_forum] Doubt in workfunction example for Al100
Bipul Rakshit
- [Pw_forum] Fw: Calculation of celldom1and celldom3 of TaB2
tomy tunde
- [Pw_forum] Tb09-MetaGGA convergence problem
plgong
- [Pw_forum] LDA+U
Suza W
- [Pw_forum] Fwd: help needed on PP
Timothy Uto
- [Pw_forum] regarding starting magnetization
Hardev Singh
- [Pw_forum] Calculation of elastic constants using Quantum Espresso software
priya kaushik
- [Pw_forum] Problem with constrained_magnetization='atomic'
Fabio Bernardini
- [Pw_forum] vc-relax + hybrid functional
Juliana Morbec
- [Pw_forum] force convergence in vc-relax
Tianli Feng
- [Pw_forum] Is there any source for WC Pseudopotentials?
Mojtaba Mirseraji
- [Pw_forum] eigenvectors failed to converge in development pw.x
Peter Scherpelz
- [Pw_forum] Equivalent space group
Youssef Aharbil
- [Pw_forum] Total energy vs PP and some beginner questions
Konrad Gruszka
- [Pw_forum] Silicon HSE Problem
Khara, Galvin
- [Pw_forum] xc functional
plgong
- [Pw_forum] quantum espresso - pdb as input
Mohan maruthi sena
- [Pw_forum] About turbo_davidson.x
Raja Sen
- [Pw_forum] Energy mismatch in pw2casino
Samuel Chang
- [Pw_forum] pw2casino failed
Samuel Chang
- [Pw_forum] davcio problem again
loc duong ding
- [Pw_forum] pp generation
TIMOTHY UTO
- [Pw_forum] version of QE
yelena
- [Pw_forum] Pw_forum Digest, Vol 93, Issue 14
Gul Rahman
- [Pw_forum] nscf error
SRKC Sharma Yamijala
- [Pw_forum] neb: CI vs no CI
Jaret Qi
- [Pw_forum] Re :different magnetism with different ibravis
Swati Khatta
- [Pw_forum] error in phonon frequency calculation
Boateng Isaac Wiafe
- [Pw_forum] pbe normconserving pseudopotentials for Fe
Ludwig, Stephan
- [Pw_forum] extending a previous run
adwait mevada
- [Pw_forum] restart neb
Jaret Qi
- [Pw_forum] cif to pwi
Winfred Mulwa
- [Pw_forum] QE-GPU
H.Benaissa
- [Pw_forum] wannier90 code
杨顶峰
- [Pw_forum] organic salt MeDH-TTP
Ludwig, Stephan
- [Pw_forum] Pw_forum Digest, Vol 93, Issue 16
Hardev Singh
- [Pw_forum] About wavefunction
Jiqiang Li
- [Pw_forum] Error in installing QE-5.1.2 in cluster - Reg
Suresh A
- [Pw_forum] car parrinello md
Youssef Aharbil
- [Pw_forum] uniform k-point grid with option 'automatic'??
Ludwig, Stephan
- [Pw_forum] Reflectivity data from epsi.dat or epsr.dat
Winfred Mulwa
- [Pw_forum] Real and imaginary part of dielectric function
Sohail Ahmad
- [Pw_forum] Phonon dispersion - negative frequencies
Sohail Ahmad
- [Pw_forum] Question on el-ph calculations
Сергей Ерохин
- [Pw_forum] pp help needed
TIMOTHY UTO
- [Pw_forum] ev.x fitting problem
Xiao
- [Pw_forum] ev.x problem on bulk modulus
杨潇
- [Pw_forum] regarding magnetization
Hardev Singh
- [Pw_forum] Comparing LDA+U simulations
Pietro Bonfa'
- [Pw_forum] A question on the Phonon calculation
高强
- [Pw_forum] a phonon calculation problem
杨顶峰
- [Pw_forum] 回覆： a phonon calculation problem
geoffrey.tse
- [Pw_forum] Error for CP in QE version 5.1.2
Eduardo Cisternas
- [Pw_forum] Sakthi
sakthivel durai
- [Pw_forum] Fwd: Doubt about dipole correction in ZnO
Bipul Rakshit
- [Pw_forum] Unrecognized dft error
Eric Glen Suter
- [Pw_forum] Questions related to Co and Fe Pseudopotentials in pslib 1and 0.31
Mostafa Youssef
- [Pw_forum] From: wilsun7 at gmail.com
wilsun7 at gmail.com
- [Pw_forum] Pw_forum Digest, Vol 93, Issue 27
poonam tandon
- [Pw_forum] flat band structure
Zeina Al-Dolami
- [Pw_forum] How to prepare the pwscf input file when ibrav=-12?
liyincumt at gmail.com
- [Pw_forum] About format in Spin Orbit calculations
robert.guzman
- [Pw_forum] Implemention of 3D-RISM-SCF & Registration request to QE-Forge
nisihara225 at gmail.com
- [Pw_forum] question relating to crystal optimization
Neeraj Goel
Last message date:
Thu Apr 30 19:13:06 CEST 2015
Archived on: Wed Feb 28 11:13:04 CET 2018
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