February 2016 Archives by date

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Starting: Mon Feb 1 07:34:36 CET 2016
Ending: Mon Feb 29 18:58:45 CET 2016
Messages: 214

• [Pw_forum] PWgui installation Problem   Muthu V
• [Pw_forum] Program received signal SIGSEGV: Segmentation fault - invalid memory reference.   nicola varini
• [Pw_forum] Electric Field Effect on Multiplayer TMDC   Kanak Datta
• [Pw_forum] band gap from DOS for LaFeO3   Isaac Wiafe Boateng
• [Pw_forum] Phonon_Calculations   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] E-field: please any response!   Jaret Qi
• [Pw_forum] Phonon_Calculations   Lorenzo Paulatto
• [Pw_forum] Dielectric Constant Using Phonon   Kanak Datta
• [Pw_forum] Quantum-ESPRESSO School on Ab-Initio Thermal Transport   Lorenzo Paulatto
• [Pw_forum] So many atomic wfc   Hüseyin Yasin Uzunok
• [Pw_forum] PWgui installation Problem   Youssef
• [Pw_forum] Compilation with intel compiler and MKL.   Youssef
• [Pw_forum] Dielectric Constant Using Phonon   Marton
• [Pw_forum] Virtual NanoLab - A Free GUI for Quantum Espresso.   Daniele Stradi
• [Pw_forum] Compilation with intel compiler and MKL.   joaquin peralta
• [Pw_forum] Compilation with intel compiler and MKL.   Paolo Giannozzi
• [Pw_forum] Phonon_Calculations   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Compilation with intel compiler and MKL.   joaquin peralta
• [Pw_forum] Compilation with intel compiler and MKL.   Paolo Giannozzi
• [Pw_forum] Compilation with intel compiler and MKL.   joaquin peralta
• [Pw_forum] Compilation with intel compiler and MKL.   Goranka Bilalbegovic
• [Pw_forum] coefficients of plane wave   Eliya Asmani
• [Pw_forum] coefficients of plane wave   Jia Chen
• [Pw_forum] Phonon_Calculations   Paolo Giannozzi
• [Pw_forum] So many atomic wfc   Paolo Giannozzi
• [Pw_forum] Phonon_Calculations   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] So many atomic wfc   Paolo Giannozzi
• [Pw_forum] coefficients of plane wave   Lorenzo Paulatto
• [Pw_forum] coefficients of plane wave   Eliya Asmani
• [Pw_forum] coefficients of plane wave   Jia Chen
• [Pw_forum] coefficients of plane wave   Eliya Asmani
• [Pw_forum] ACBN0 pseudopotentil - regarding   chaitanya varma
• [Pw_forum] Germanium bulk band structure   Michael Schofield
• [Pw_forum] ACBN0 pseudopotentil - regarding   Matteo Cococcioni
• [Pw_forum] possible i/o bug in turbo_lanczos.x and turbo_davidson.x 5.3.0   Giuseppe Mattioli
• [Pw_forum] Germanium bulk band structure   Giuseppe Mattioli
• [Pw_forum] Pw_forum Digest, Vol 103, Issue 4   chaitanya varma
• [Pw_forum] quantum-espresso RPMS in Fedora/EPEL   Filippo SPIGA
• [Pw_forum] Fwd: bands calculation in QE   Manjusha Chugh
• [Pw_forum] possible i/o bug in turbo_lanczos.x and turbo_davidson.x 5.3.0   Timrov Iurii
• [Pw_forum] possible i/o bug in turbo_lanczos.x and turbo_davidson.x 5.3.0   Giuseppe Mattioli
• [Pw_forum] possible i/o bug in turbo_lanczos.x and turbo_davidson.x 5.3.0   Giuseppe Mattioli
• [Pw_forum] question on the lplot_drho variable of turbo_davidson   xiaochuan Ge
• [Pw_forum] Fwd: bands calculation in QE   Paolo Giannozzi
• [Pw_forum] FM relaxed to AFM!   Jaret Qi
• [Pw_forum] FM relaxed to AFM!   Stefano de Gironcoli
• [Pw_forum] FM relaxed to AFM!   Jaret Qi
• [Pw_forum] Fwd: bands calculation in QE   Manjusha Chugh
• [Pw_forum] possible i/o bug in turbo_lanczos.x and turbo_davidson.x 5.3.0   Timrov Iurii
• [Pw_forum] possible i/o bug in turbo_lanczos.x and turbo_davidson.x 5.3.0   Giuseppe Mattioli
• [Pw_forum] compilation problems on MVS-10P and MVS-100K (again)   Denis E. Zavelev
• [Pw_forum] possible i/o bug in turbo_lanczos.x and turbo_davidson.x 5.3.0   Timrov Iurii
• [Pw_forum] possible i/o bug in turbo_lanczos.x and turbo_davidson.x 5.3.0   Giuseppe Mattioli
• [Pw_forum] So many atomic wfc   Hüseyin Yasin Uzunok
• [Pw_forum] vdW-DFT calculations   Muhammad Adnan Saqlain
• [Pw_forum] Stacking AB Bilayer   Mohssine El Bachra
• [Pw_forum] Stacking AB Bilayer   Ari P Seitsonen
• [Pw_forum] Error in DOS and PDOS   Kanak Datta
• [Pw_forum] Problem with QE-5.2.1 in building exx routines   Mahmoud Payami Shabestari
• [Pw_forum] Total magnetization vs absolute magnetization   Jaret Qi
• [Pw_forum] vdW-DFT calculations   Piyush Kumar
• [Pw_forum] Stacking AB Bilayer   Jess Wellendorff
• [Pw_forum] Enquiry about the Pseudopotential   song kenan
• [Pw_forum] Problem with QE-5.2.1 in building exx routines   Paolo Giannozzi
• [Pw_forum] Problem with QE-5.2.1 in building exx routines   Mahmoud Payami Shabestari
• [Pw_forum] dos problem   hamed asadi
• [Pw_forum] Spin-Polarized NEB   Vic Bermudez
• [Pw_forum] Enquiry about the Pseudopotential   Giuseppe Mattioli
• [Pw_forum] Problem with QE-5.2.1 in building exx routines   Lorenzo Paulatto
• [Pw_forum] Spin-Polarized NEB   Giuseppe Mattioli
• [Pw_forum] Charge analysis in QE   Yang, Chi-Ta
• [Pw_forum] Charge analysis in QE   Giuseppe Mattioli
• [Pw_forum] metal-semiconductor interface   Sridhar Sadasivam
• [Pw_forum] Charge analysis in QE   Yang, Chi-Ta
• [Pw_forum] Spin-Polarized NEB   Mostafa Youssef
• [Pw_forum] Cannot obtained all expected eigenvalues   efi dwi indari
• [Pw_forum] Problem with QE-5.2.1 in building exx routines   Mahmoud Payami Shabestari
• [Pw_forum] Problem with QE-5.2.1 in building exx routines   Axel Kohlmeyer
• [Pw_forum] Cannot obtained all expected eigenvalues   Giovanni Cantele
• [Pw_forum] NMR_shifts_selected_atoms   Kai Trepte
• [Pw_forum] Problem with QE-5.2.1 in building exx routines   Mahmoud Payami Shabestari
• [Pw_forum] Large band gap in MnWO4   Dr. Raghavender A T
• [Pw_forum] problem calculating electron - phonon matrix elements , stars of points grid   Abderrezak TORCHE
• [Pw_forum] Spin-Polarized NEB   Giuseppe Mattioli
• [Pw_forum] Charge analysis in QE   Giuseppe Mattioli
• [Pw_forum] Spin-Polarized NEB   Mostafa Youssef
• [Pw_forum] About getting Raman Spectrum for a 24 atom-hybrid halide perovskite   Josue Itsman Clavijo Penagos
• [Pw_forum] units of charge density and potential plots from pp.x plotted by Xrysden   meysam pazoki
• [Pw_forum] NMR_shifts_selected_atoms   Ari P Seitsonen
• [Pw_forum] About getting Raman Spectrum for a 24 atom-hybrid halide perovskite   Ari P Seitsonen
• [Pw_forum] CHOOSING SMEARING PARAMETER   Omamuyovwi Akemu
• [Pw_forum] supercell question   Sarah Alpine
• [Pw_forum] supercell question   James Johns
• [Pw_forum] supercell question   omamuyovwiakemu at yahoo.com
• [Pw_forum] how to espress fractional coordinates in quantum espresso input   Ridwan Agbaoye
• [Pw_forum] Charge analysis in QE   Yang, Chi-Ta
• [Pw_forum] Regarding the installation problem in running configure.   Tushar Gupta
• [Pw_forum] how to espress fractional coordinates in quantum espresso input   stefano de gironcoli
• [Pw_forum] Regarding the installation problem in running configure.   Surender
• [Pw_forum] Regarding the installation problem in running configure.   Tushar Gupta
• [Pw_forum] Query in band structure calculation   nirav msc
• [Pw_forum] units of charge density and potential plots from pp.x plotted by Xrysden   Paolo Giannozzi
• [Pw_forum] Regarding the installation problem in running configure.   Surender
• [Pw_forum] Bandstructure calculation in QE   nirav msc
• [Pw_forum] Bandstructure calculation in QE   Jess Wellendorff
• [Pw_forum] Regarding the installation problem in running configure.   Tushar Gupta
• [Pw_forum] REMINDER: MARVEL/MaX/Psi-k "Tutorial on high-throughput computations: general methods and applications using AiiDA"   Andrea Ferretti
• [Pw_forum] Charge analysis in QE   Matic Poberznik
• [Pw_forum] Charge analysis in QE   Yang, Chi-Ta
• [Pw_forum] Regarding the installation problem in running configure.   Surender
• [Pw_forum] Regarding the installation problem in running configure.   Tushar Gupta
• [Pw_forum] Running in Parallel   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Running in Parallel   Hooman Yaghoobnejad Asl
• [Pw_forum] Regarding the installation problem in running configure.   Surender
• [Pw_forum] Pw_forum Digest, Vol 103, Issue 10   K.M. Mohsin
• [Pw_forum] Regarding the installation problem in running configure.   Tushar Gupta
• [Pw_forum] ev.x Fortran runtime error   Máximo Ramírez
• [Pw_forum] Anatase primitive cell:Reg   Suresh A
• [Pw_forum] PWgui problem - reg.,   Muthu V
• [Pw_forum] ev.x Fortran runtime error   Paolo Giannozzi
• [Pw_forum] ev.x Fortran runtime error   Máximo Ramírez
• [Pw_forum] Regarding the installation problem in running configure.   Surender
• [Pw_forum] Anatase primitive cell:Reg   Mike Atambo
• [Pw_forum] parallelization problem 3d plotting pp.x   Aldo Ugolotti
• [Pw_forum] Z2 Indes   Riemann Derakhshan
• [Pw_forum] parallelization problem 3d plotting pp.x   Paolo Giannozzi
• [Pw_forum] Geometry_Optimization_ERROR   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Geometry_Optimization_ERROR   Ari P Seitsonen
• [Pw_forum] Parity In presence of Spin-Orbit Coupling   Riemann Derakhshan
• [Pw_forum] Geometry_Optimization_ERROR   Paolo Giannozzi
• [Pw_forum] vc relax for high pressure work   Raj kamal
• [Pw_forum] Finding 6 proper Reciprocal-space surfaces   Riemann Derakhshan
• [Pw_forum] Parity In presence of Spin-Orbit Coupling   Andrea Dal Corso
• [Pw_forum] Anatase primitive cell:Reg   Suresh A
• [Pw_forum] parallelization problem 3d plotting pp.x   Aldo Ugolotti
• [Pw_forum] defining Surface in reciprocal-space with crystal_c switch   Riemann Derakhshan
• [Pw_forum] Problem determing the melting temperature of black phosphorene using molecular dynamics implemented in cp.x   barung at iitk.ac.in
• [Pw_forum] Can I get away with restart_mode="restart" in this case? max_seconds did not end the calculation right.   Joshua Davis
• [Pw_forum] Can I get away with restart_mode="restart" in this case? max_seconds did not end the calculation right.   Joshua Davis
• [Pw_forum] Can I get away with restart_mode="restart" in this case? max_seconds did not end the calculation right.   Paolo Giannozzi
• [Pw_forum] Can I get away with restart_mode="restart" in this case? max_seconds did not end the calculation right.   Joshua Davis
• [Pw_forum] Geometry optimization on QE530-GPU with memory allocation error?   Rolly Ng
• [Pw_forum] Geometry optimization on QE530-GPU with memory allocation error?   Filippo Spiga
• [Pw_forum] Geometry optimization on QE530-GPU with memory allocation error?   Rolly Ng
• [Pw_forum] Volume Optimisation :-Reg   Suresh A
• [Pw_forum] Geometry optimization on QE530-GPU with memory allocation error?   Paolo Giannozzi
• [Pw_forum] Geometry optimization on QE530-GPU with memory allocation error?   Rolly Ng
• [Pw_forum] Geometry optimization on QE530-GPU with memory allocation error?   Filippo Spiga
• [Pw_forum] Effective mass calculator   fataneh bostan afroz
• [Pw_forum] Effective mass calculator   ulrich.aschauer at dcb.unibe.ch
• [Pw_forum] Volume Optimisation :-Reg   Ari P Seitsonen
• [Pw_forum] External Magnetic field   Pulkit Garg
• [Pw_forum] Structural Optimization Calculation   Cameron Foss
• [Pw_forum] External Magnetic field   Arles V. Gil Rebaza
• [Pw_forum] Restart_A_Job   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Restart_A_Job   Joshua Davis
• [Pw_forum] Restart_A_Job   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] vc-relax_ERROR   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Not able to run after restarting electron minimization   shashi bhusan mishra
• [Pw_forum] Structural Optimization Calculation   Maciej Szary
• [Pw_forum] vc-relax_ERROR   Paolo Giannozzi
• [Pw_forum] External Magnetic field   Pulkit Garg
• [Pw_forum] About getting Raman Spectrum for a 24 atom-hybrid halide perovskite   Josue Itsman Clavijo Penagos
• [Pw_forum] [QE-GPU] QE-GPU-5.3.0 compilation issues (UNCLASSIFIED)   Ianni, James C CTR USARMY RDECOM ARL (US)
• [Pw_forum] [QE-GPU] QE-GPU-5.3.0 compilation issues (UNCLASSIFIED)   Filippo SPIGA
• [Pw_forum] [Non-DoD Source] Re: [QE-GPU] QE-GPU-5.3.0 compilation issues (UNCLASSIFIED)   Ianni, James C CTR USARMY RDECOM ARL (US)
• [Pw_forum] Geometry_Optimization   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] vc-relax_ERROR   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Atomic Positions in 2-D Structure Formation   Amreen Bano
• [Pw_forum] Geometry_Optimization   Giovanni Cantele
• [Pw_forum] Convergence test on big model   Yangchuan Li
• [Pw_forum] Convergence test on big model   Ari P Seitsonen
• [Pw_forum] help on how to compute celldm(4), celldm(5) and celldm(6)   Ridwan Agbaoye
• [Pw_forum] help on how to compute celldm(4), celldm(5) and celldm(6)   Giovanni Cantele
• [Pw_forum] Cutoff convergence   Francesco Macheda
• [Pw_forum] lambda.x crshers with error (unit = 4, file = 'elph_dir/elph.inp_lambda.1)   Kondaiah Samudrala
• [Pw_forum] Quantum chemistry   Muhammad Adnan Saqlain
• [Pw_forum] Cutoff convergence   Paolo Giannozzi
• [Pw_forum] help on how to compute celldm(4), celldm(5) and celldm(6)   Ridwan Agbaoye
• [Pw_forum] Bader Analysis for charge transfer   Mahendra Jalkhediya
• [Pw_forum] QE Workshop in Trieste tomorrow 24th of February 2016   Ivan Girotto
• [Pw_forum] Bader Analysis for charge transfer   dario rocca
• [Pw_forum] SCF_for_one_atom   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Possible bug in TB09 MetaGGA   Pedro Miguel Castro Borlido
• [Pw_forum] Amorphous Solid   Sarah Alpine
• [Pw_forum] Amorphous Solid   Layla Martin-Samos
• [Pw_forum] Amorphous Solid   Sarah Alpine
• [Pw_forum] R: Amorphous Solid   layla martin
• [Pw_forum] Amorphous Solid   Alan J. R. Ambrozio
• [Pw_forum] Amorphous Solid   Sarah Alpine
• [Pw_forum] Amorphous Solid   Jess Wellendorff
• [Pw_forum] projwfc.x   Andrey Chibisov
• [Pw_forum] projwfc.x   Giovanni Cantele
• [Pw_forum] SCF_for_one_atom   Lorenzo Paulatto
• [Pw_forum] SCF_for_one_atom   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Amorphous Solid   Sarah Alpine
• [Pw_forum] Amorphous Solid   Vic Bermudez
• [Pw_forum] HSE Functional   Francisco Wellery Nunes Silva
• [Pw_forum] projwfc.x   Andrey Chibisov
• [Pw_forum] Regarding electron phonon calculations   Kondaiah Samudrala
• [Pw_forum] Binding Energy for H2O with PAW   Felix Brockherde
• [Pw_forum] Binding Energy for H2O with PAW   Jess Wellendorff
• [Pw_forum] Binding Energy for H2O with PAW   Ari P Seitsonen
• [Pw_forum] HSE Functional   Paolo Giannozzi
• [Pw_forum] Binding Energy for H2O with PAW   庞瑞(PANG Rui)
• [Pw_forum] Binding Energy for H2O with PAW   Ari P Seitsonen
• [Pw_forum] [Q-e-developers] a request   Paolo Giannozzi
• [Pw_forum] Amorphous Solid   Sarah Alpine
• [Pw_forum] Possible bug in TB09 MetaGGA   Paolo Giannozzi
• [Pw_forum] testing the PW execution   Stephen Chan
• [Pw_forum] testing the PW execution   Paolo Giannozzi
• [Pw_forum] [Non-DoD Source] Re: [QE-GPU] QE-GPU-5.3.0 compilation issues (UNCLASSIFIED)   Filippo SPIGA
• [Pw_forum] pp.x stm constant current mode   Sun Tao
• [Pw_forum] Disagreement in vc-relax results between orthogonal and non-orthogonal cell   Sungkwang Mun

Last message date: Mon Feb 29 18:58:45 CET 2016
Archived on: Wed Feb 28 11:13:09 CET 2018

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