June 2016 Archives by thread
Starting: Wed Jun 1 04:32:54 CEST 2016
Ending: Thu Jun 30 19:06:09 CEST 2016
Messages: 260
- [Pw_forum] Unable to Successfully Install Parallel Version of QE on Windows
Suchit
- [Pw_forum] rhombohedral lattice wih R3c and R-3c: optimization
Yue-Wen Fang
- [Pw_forum] uf
ashkan shekaari
- [Pw_forum] Relaxed Structure: Reg
Suresh A
- [Pw_forum] error of calculation for electeon-phonon using the saved fildvscf and fildyn
oyxf328
- [Pw_forum] Calculated Gap smaller than ones calculated by other softwore
lyzhao
- [Pw_forum] Question regarding CPU consuming on QE jobs
veronica sanchez
- [Pw_forum] Pw_forum Digest, Vol 107, Issue 1
Elliot Menkah
- [Pw_forum] TiS3 input problem
Jaret Qi
- [Pw_forum] nscf calculation - k points number
Konrad Gruszka
- [Pw_forum] US
ashkan shekaari
- [Pw_forum] wavefunction output in PAW calculations
Ryky Nelson
- [Pw_forum] Full Trajectory with cppp.x
Natalie Paige Schieber
- [Pw_forum] Problem with Starting_magnetization
sayan chaudhuri
- [Pw_forum] Layer Relaxation: Adsorption Phenomenon
Elliot Menkah
- [Pw_forum] CPO-27-Zn scf not converge
Lorenzo Donà
- [Pw_forum] Dipole correction in superlattice with no vacuum
Dae Kwang Jun
- [Pw_forum] Hugoniot Calculation...
Ramon Valencia
- [Pw_forum] Hse06
Aa Bb
- [Pw_forum] Electron-Phonon Calc with Spin-Orbit
Omololu Akin-Ojo
- [Pw_forum] restarting a nscf run
Pascal Boulet
- [Pw_forum] band structure
Raj kamal
- [Pw_forum] the format of output files
wangwei
- [Pw_forum] Core level binding energy shift by pw.x
Xianzhong Zhou
- [Pw_forum] Error in routine potinit (1): starting and expected charges differ
efi dwi indari
- [Pw_forum] inconsistent number of sticks
वैभव कावरे
- [Pw_forum] Running Test Suite: "Unknown" Error
Ian Dunn
- [Pw_forum] problem in band structure calculation.
pranay biswas
- [Pw_forum] monoclinic system number of atom generated is incorrect
Lorenzo Donà
- [Pw_forum] pseudo potential generation problem
pranay biswas
- [Pw_forum] Regarding ph.x
Manu Hegde
- [Pw_forum] Pw_forum Digest, Vol 107, Issue 9
Leo
- [Pw_forum] DOS not creating but PDOS for C60 fullerene
Raj kamal
- [Pw_forum] charge is wrong: smearing is needed
evan
- [Pw_forum] need technical reason -why nscf is not running in gamma point?
Raj kamal
- [Pw_forum] Point group changes when I modify ecutrho
Bahadır SALMANKURT
- [Pw_forum] PWscf compilation error
udayagiri sai babu
- [Pw_forum] Problem to visualize multilayer of graphene in xcrysden
Omar FAYE
- [Pw_forum] Spin orbit coupling
tanmay chaki
- [Pw_forum] need technical reason -why nscf is not running in gamma point? (Giovanni Cantele)
Raj kamal
- [Pw_forum] DOS not creating but PDOS for C60 fullerene (Paolo Giannozzi)
Raj kamal
- [Pw_forum] PAW pseudopotentials
Mohssine El Bachra
- [Pw_forum] Ab-initio MD calculations wont stop after reaching nstep
Hooman Yaghoobnejad Asl
- [Pw_forum] Problem in SCF convergence with larger unit cells
reza vatan
- [Pw_forum] Question on Estimated SCF Accuracy
Jon G
- [Pw_forum] Hybrid
Aa Bb
- [Pw_forum] Kpoints - x coordinates - reg.,
Muthu V
- [Pw_forum] Regarding the structural relaxation
Mr. Sushant Kumar Behera
- [Pw_forum] evaluating band structure
Muhammad Adnan Saqlain
- [Pw_forum] pw.x warning message : IEEE_DENORMAL - reg.,
Muthu V
- [Pw_forum] error in routine for cdiagh2 in matdyn.x
Andrew Supka
- [Pw_forum] Electron-phonon coupling in QE
한우현
- [Pw_forum] magnetic calculations,
ZARA NBSH
- [Pw_forum] Re: Kpoints - x coordi
Muthu V
- [Pw_forum] Applications are now open for Master in High Performance Computing -- academic year 2016-2017
Filippo SPIGA
- [Pw_forum] vc-relaxation technical job
Francesco Pelizza
- [Pw_forum] Does exx_fraction override input pseudopotentials?
Dae Kwang Jun
- [Pw_forum] About electron-phonon matrix elements in elph.#iq.#irr.xml
mfzhu
- [Pw_forum] Interpolation method used in getting projector in k-space
Ryky Nelson
- [Pw_forum] PBEsol, PBE and revPBE
Muhammad Adnan Saqlain
- [Pw_forum] electronic velocities
Alaska Subedi
- [Pw_forum] PDOS
Jaret Qi
- [Pw_forum] pw_langevin test
Ian Dunn
- [Pw_forum] Quantum ESPRESSO Output
Ian Dunn
- [Pw_forum] Plot
Anuja Chanana
- [Pw_forum] Scalar or non-scalar Pseudopotential files in pwscf:Reg
Suresh A
- [Pw_forum] Zn PBE PAW pseudopotential download
Abolore Musari
- [Pw_forum] Invalid memory reference with GIPAW and USPPs
Sean A. Fischer, Contractor
- [Pw_forum] QE in Parallel error
Mohammad Raihan Miah
- [Pw_forum] How to speed up the phonon calculation for a system of 320 atoms
Coiby Xu
- [Pw_forum] Trouble linking fortran to c on Cray XC-40
Downs, Andrew S CTR USARMY ARL (US)
- [Pw_forum] PBE0 Hybrid functional SCF doesn't complete
Thierry Clette
- [Pw_forum] E-CAM Wannier90 Software Development Workshop
Nicola Marzari
- [Pw_forum] Raman calculation of graphyne
Barnali Bhattacharya
- [Pw_forum] There are lines where there shouldn't be in bandstructure diagrams
Dae Kwang Jun
- [Pw_forum] ERROR PROBLEM WITH SURFACE RELAXATION
Omamuyovwi Akemu
- [Pw_forum] Question about volume relaxation - reg
Muthu V
- [Pw_forum] defining atom groups
Neven Golenić
- [Pw_forum] Wrong Symmetry
Manu Hegde
- [Pw_forum] Regarding total magnetization of a magnetic system
mohaddeseh abbasnejad
- [Pw_forum] Velocity and Temperature control in MD
Vipul Shivaji Ghemud
- [Pw_forum] ESM
Nkosinathi Malaza
- [Pw_forum] Velocity re scaling in Pwscf MD calculation
Sahida Kureshi
- [Pw_forum] MaX software scientist/engineer @ EPFL
Nicola Marzari
- [Pw_forum] dos.x and wave function files
Giovanni Cantele
- [Pw_forum] PWneb reads coordinates of images incorrectly
naseem
- [Pw_forum] matdyn.in.freq calculation
adurajski at wip.pcz.pl
- [Pw_forum] Fwd: H-bonding in DFT
ZARA NBSH
- [Pw_forum] question about grain boundary morphology relaxation
Shenli Zhang
- [Pw_forum] Band Offsets too large
Dae Kwang Jun
- [Pw_forum] yambo installation
Mansoureh Pashangpour
- [Pw_forum] frequency dependent Dielectric permittivity tensors for phonon mode at Gamma
Mamindla Ramesh
- [Pw_forum] H-bonding in DFT
ZARA NBSH
- [Pw_forum] Segmentation Fault using pw.exe with 'relax' (Windows 10, 64 bit)
Matthew Brunetti
- [Pw_forum] epsilon calculation in the case of a soft mode
Mostafa Youssef
- [Pw_forum] how to define celldm(4) or cos(ab) for monoclinic system.
Lorenzo Donà
Last message date:
Thu Jun 30 19:06:09 CEST 2016
Archived on: Wed Feb 28 11:16:18 CET 2018
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