April 2016 Archives by thread
Starting: Fri Apr 1 01:03:09 CEST 2016
Ending: Sat Apr 30 23:44:24 CEST 2016
Messages: 295
- [Pw_forum] Computer do not respond when running pwcond
Yangchuan Li
- [Pw_forum] Generating K points for Wurzite Structure using crystal_b
lateef mustapha
- [Pw_forum] The rotating vector in vc-relax
Huang, Xu
- [Pw_forum] VC_relax
Vishal Gupta
- [Pw_forum] what makes difference using advanced version of QE 5.3.0
Raj kamal
- [Pw_forum] calculation of hydrogen temperature using cp.x
tomy tunde
- [Pw_forum] Charge density minus atomic ones
Juan Jose Melendez Martinez
- [Pw_forum] exchange-correlation and pseudopotential
Uri Argaman
- [Pw_forum] why does band calculation takes too long
Eduardo Menendez
- [Pw_forum] On the size of Monkhorst-Pack grid for phonon calculation
Yi Wang
- [Pw_forum] Interface and Vacuum
Sarah Alpine
- [Pw_forum] charge density plot - really too small!
Mohamad Moadeli
- [Pw_forum] 3D vectors for charge density 2D plot
Mohamad Moadeli
- [Pw_forum] Regarding polarisation from Berry phase
Varadharajan Srinivasan
- [Pw_forum] Error in parallel running
Yangchuan Li
- [Pw_forum] Plotband.x
Manu Hegde
- [Pw_forum] benchmark results
Cohen, Ronald
- [Pw_forum] mos2
ashkan shekaari
- [Pw_forum] which one is executable for charge density difference
Raj kamal
- [Pw_forum] about gipaw pseudopotentials
Arles V. Gil Rebaza
- [Pw_forum] Semi-Metallic behavior in semi-conductor superlattice;
Zahra Taghipour
- [Pw_forum] interactive mm_dispersion routine
Aldo Ugolotti
- [Pw_forum] DFT+U+V correction
Anna Maria Ferrari
- [Pw_forum] Reach the desired temperature with MD
Wei Li
- [Pw_forum] PWGui for Windows..
siddheshwar chopra
- [Pw_forum] Is there a CHECK RUN option in QE?
siddheshwar chopra
- [Pw_forum] error becsum PAW calculation
Federico Iori
- [Pw_forum] about calculation of superconducting Tc
oyxf328
- [Pw_forum] gipaw pseudopotential
Arles V. Gil Rebaza
- [Pw_forum] The question about the .xml tag
Valentina Shvets
- [Pw_forum] pw2wannier90 in stand-alone mode ... Segmentation fault - invalid memory reference
plug at infim.ro
- [Pw_forum] PRoblem in reporting the Relaxed coordinates
meysam pazoki
- [Pw_forum] pw2wannier90 in stand-alone mode ... Segmentation fault - invalid memory reference / more information
plug at infim.ro
- [Pw_forum] Segmentation Fault when using pw2casino on moderately sized system?
Henry J Seeley
- [Pw_forum] how to get wannier_bands.dat
Wang Riping
- [Pw_forum] tb09 functional with libxc
Xiaoming Wang
- [Pw_forum] Regarding Absolute band-edges
Vipul Shivaji Ghemud
- [Pw_forum] (no subject)
wz
- [Pw_forum] the symmetry problem in calculating phonon frequency of wurtzite AlN
wz
- [Pw_forum] how to obtain exchange energy and correlation energy separately?
Uri Argaman
- [Pw_forum] running OpenMPI pw.x error
K.M. Mohsin
- [Pw_forum] VC-RELAX with paw potential
Mayank Gupta
- [Pw_forum] cif2qe conversion failure
Tsung-Lung Li
- [Pw_forum] Memory issue in calculation with large unit-cell
Elad Segev
- [Pw_forum] TurboEELS for core-loss spectra
Joshua Taillon
- [Pw_forum] electron-phonon calculation problem
yelena
- [Pw_forum] PROJWFC namelist error
Muhich Christopher
- [Pw_forum] PAW orthonormality and obtaining S|psi>
Henry J Seeley
- [Pw_forum] Question on required computing resources for pwcond.x
Yangchuan Li
- [Pw_forum] Cutoff and K-grid convergence
Francesco Macheda
- [Pw_forum] k-points for xLi2MnO3-(1-x)LiMO2
Seid Mohammed Geleto
- [Pw_forum] VC_relax doesn't converge
Vishal Gupta
- [Pw_forum] how to calculate xy-plane integrated conduction electron density for LAO/STO system?
Yue-Wen Fang
- [Pw_forum] Full k-points in Brillouin Zone (turning-off all symmetries)
Ryky Nelson
- [Pw_forum] compilation errors
Neven Golenić
- [Pw_forum] 2nd and 3rd energy derivatives using DFPT?
Sabry Gad Al Hak Moustafa
- [Pw_forum] wannier_ham.x: Wannier orthogonalization failed.
Wang Riping
- [Pw_forum] SG-15 Pseudopotentials local channel
Kayahan Saritas
- [Pw_forum] patch to allow compilation with MKL FFTW3
David Strubbe
- [Pw_forum] calculating band derivative by wave functions
Chong Wang
- [Pw_forum] phonon output
Sohail Ahmad
- [Pw_forum] Graphene Phonons Not Working
Abualnaja, Faris
- [Pw_forum] Work function issues
Hepplestone, Steven
- [Pw_forum] GIPAW 5.3.0 "problems computing cholesky"
Elward, Jennifer M CTR USARMY RDECOM ARL (US)
- [Pw_forum] Problem in running sumpdos.x
efi dwi indari
- [Pw_forum] Bug in Raman calcs with no-symmetries
Marc Blanchard
- [Pw_forum] MgO slab calculation: unexpected Fermi energy shift
Yue-Wen Fang
- [Pw_forum] wannier_ham.x: setting up the input file
Wang Riping
- [Pw_forum] vdW-DF + starting_magnetization
Mohamad Moadeli
- [Pw_forum] ZnO- meta gga problem
chaitanya varma
- [Pw_forum] more patches
David Strubbe
- [Pw_forum] Phonon of ScN
Sohail Ahmad
- [Pw_forum] phonon
azadeh aezami
- [Pw_forum] VC relax and SCF
Manu Hegde
- [Pw_forum] relax or vc-relax
Vishal Gupta
- [Pw_forum] Walter Kohn prize for quantum-mechanical molecular modelling
Stefano Baroni
- [Pw_forum] Getting error in pp.x run
Sourav Mondal
- [Pw_forum] QE with EPW 3.0
Anandaraman Raman
- [Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?
Han Hsu (徐翰)
- [Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?
Youssef Aharbil
- [Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?
Paolo Giannozzi
- [Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?
Han Hsu (徐翰)
- [Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?
Thomas Brumme
- [Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?
Andrea Dal Corso
- [Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?
Paolo Giannozzi
- [Pw_forum] space_group, crystal_sg, and Wyckoff position still implemented in QE?
Thomas Brumme
- [Pw_forum] Error running pwcond example
Ravish Jamnal
- [Pw_forum] Version 5.4.0 of Quantum ESPRESSO is available for download
Filippo SPIGA
- [Pw_forum] Pw_forum Digest, Vol 104, Issue 21
Vijay Khanal
- [Pw_forum] Regarding degaussq in lambda.f90
Kondaiah Samudrala
- [Pw_forum] plot fermi surface
oyxf328
- [Pw_forum] calculate fermi surface
oyxf328
- [Pw_forum] Fermi surface
oyxf328
- [Pw_forum] error in the Fermi Surface plot
oyxf328
- [Pw_forum] bands_FS.x Unknown----ferimi surface problem
oyxf328
- [Pw_forum] I got an error in Atomic for Bismuth full relativistic psudopotential generation
meysam pazoki
- [Pw_forum] some noices in band structure problem
n16031320
- [Pw_forum] Possible problem with pw.x version 5.4.0 ? S matrix not positive
soumyajyoti haldar
- [Pw_forum] too many g-vectors
Mofrad, Amir Mehdi (MU-Student)
- [Pw_forum] finite displacement phonon calculation
Merlin Meheut
- [Pw_forum] Zero scattering rates for bulk Ge for some k points using EPW
Vahid Askarpour
- [Pw_forum] Regarding Smearing, Temprature effects and kohn Anomaly
Kondaiah Samudrala
- [Pw_forum] Negative phonon frequency for 2D material of Sn (stanene)
Yuma Nakamura
- [Pw_forum] Gamma point frequencies are not unique in the dispersion curve
Atanu Paul
- [Pw_forum] Infinite loop while making EPW
Vahid Askarpour
- [Pw_forum] PseudoPotential for Praseodymium (Pr) rare earth
rajiv kumar
- [Pw_forum] Many calculations with the same temporary directory
Francesco Pelizza
- [Pw_forum] Bug in a calculation of PDOS in a non-colinear system (igk should be igk_k ?)
MitsuakiKawamura
- [Pw_forum] Ruthenium fully relativistic pseudopotential
Ram Krishna Ghosh
- [Pw_forum] Fw: an issue of dynmat.x
Shaofeng Wang
- [Pw_forum] Hubbard Correction demo files
Vijay Khanal
- [Pw_forum] 6-month master fellowships for women researchers
Nicola Marzari
- [Pw_forum] what is the meaning of 'ngw' and 'igwx' in the output file of pw_export.x
Chong Wang
- [Pw_forum] The 'PAWPROJ' option in projwfc.x
Ifeanyi John ONUORAH
- [Pw_forum] spin-orbit coupling in LDA+U calculations
Ram Krishna Ghosh
- [Pw_forum] Data arrangement in cube file generated by QE
reza vatan
- [Pw_forum] error opening xml data file during post processing for Car-Parrinello
Eduardo Cisternas
- [Pw_forum] G-vector lists associated with plane-waves listed in the wfc file
Ryky Nelson
- [Pw_forum] bug report
Shaofeng Wang
- [Pw_forum] Resuming Electron-phonon calculations after calculation's unintentional end
Hüseyin Yasin Uzunok
- [Pw_forum] error in restarting pw.x
Federico Iori
- [Pw_forum] number of k-points
Eliya Asmani
- [Pw_forum] Error with post-processing for CP calculations
Eduardo Cisternas
- [Pw_forum] PWCOND example
Ravish Jamnal
Last message date:
Sat Apr 30 23:44:24 CEST 2016
Archived on: Wed Feb 28 11:16:17 CET 2018
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