March 2015 Archives by author

• Messages sorted by: [ thread ] [ subject ] [ date ]
• More info on this list...

Starting: Sun Mar 1 15:32:34 CET 2015
Ending: Tue Mar 31 22:56:15 CEST 2015
Messages: 181

• [Pw_forum] compiling for Intel Xeon Phi   Fabio Affinito
• [Pw_forum] compiling for Intel Xeon Phi   Fabio Affinito
• [Pw_forum] Hubbard for oxygen   Youssef Aharbil
• [Pw_forum] projected density of states   Uri Argaman
• [Pw_forum] projected DOS   Uri Argaman
• [Pw_forum] Positions of Dopant in Supercell   Athena Brown
• [Pw_forum] Error of running code   Giovanni Cantele
• [Pw_forum] Error of running code   Giovanni Cantele
• [Pw_forum] Symmetry Related Error   Giovanni Cantele
• [Pw_forum] Symmetry Related Error   Giovanni Cantele
• [Pw_forum] jumps in bandstructure   Giovanni Cantele
• [Pw_forum] error when running Bands.x   Giovanni Cantele
• [Pw_forum] Doubt in workfunction example for Al100   Giovanni Cantele
• [Pw_forum] Doubt in workfunction example for Al100   Giovanni Cantele
• [Pw_forum] error when running Bands.x   Saikat Chakraborty
• [Pw_forum] error when running Bands.x   Saikat Chakraborty
• [Pw_forum] error when running Bands.x   Saikat Chakraborty
• [Pw_forum] error when running Bands.x   Saikat Chakraborty
• [Pw_forum] Clarification on Calculating U based on linear response   Matteo Cococcioni
• [Pw_forum] DFT+U and starting_ns_eigenvalue(m,ispin,I)   Matteo Cococcioni
• [Pw_forum] DFT+U and starting_ns_eigenvalue(m,ispin,I)   Matteo Cococcioni
• [Pw_forum] DFT+U and starting_ns_eigenvalue(m,ispin,I)   Matteo Cococcioni
• [Pw_forum] Clarification on Calculating U based on linear response   Joshua Davis
• [Pw_forum] Clarification on Calculating U based on linear response   Joshua Davis
• [Pw_forum] Errors while installing Xcrysden   Joshua Davis
• [Pw_forum] Errors while installing Xcrysden   Joshua Davis
• [Pw_forum] Trouble with the Fe PBE PAW functional.   Joshua Davis
• [Pw_forum] DFT+U and starting_ns_eigenvalue(m,ispin,I)   Wajood A Diery
• [Pw_forum] DFT+U and starting_ns_eigenvalue(m,ispin,I)   Wajood A Diery
• [Pw_forum] DFT+U and starting_ns_eigenvalue(m,ispin,I)   Wajood A Diery
• [Pw_forum] DFT+U and starting_ns_eigenvalue(m,ispin,I)   Wajood A Diery
• [Pw_forum] error from pw_readfile- error opening xml data file   Mary Ebrahimi
• [Pw_forum] Trouble with the Fe PBE PAW functional. (Joshua Davis)   Giovani Faccin
• [Pw_forum] Reg: Need of Full relativistic PS for SOC calculations   Carsten Fortmann
• [Pw_forum] Compilation Error With ICC   Cameron Foss
• [Pw_forum] Understanding projwfc.x output and atomic_proj.xml   Tobias Frank
• [Pw_forum] projected density of states   xiaochuan Ge
• [Pw_forum] Phonon calculation using vdw-DF van der waals's correction   Prasenjit Ghosh
• [Pw_forum] discrepancy in tests   Paolo Giannozzi
• [Pw_forum] FFT - Help   Paolo Giannozzi
• [Pw_forum] FFT - Help   Paolo Giannozzi
• [Pw_forum] discrepancy in tests   Paolo Giannozzi
• [Pw_forum] Help, about the phonon calculation of GaN.   Paolo Giannozzi
• [Pw_forum] SCF correction compared to forces is large   Paolo Giannozzi
• [Pw_forum] Quantum ESPRESSO v.5.1.2   Paolo Giannozzi
• [Pw_forum] Problems in gipaw EFG calculations   Paolo Giannozzi
• [Pw_forum] Error in routine ggen (1)   Paolo Giannozzi
• [Pw_forum] Symmetry Related Error   Paolo Giannozzi
• [Pw_forum] "nproc_ortho > 1 not yet implemented" in projwfc.x run   Paolo Giannozzi
• [Pw_forum] occupations=tedrahedra   Paolo Giannozzi
• [Pw_forum] problem with GWW   Paolo Giannozzi
• [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)   Paolo Giannozzi
• [Pw_forum] dismatch of Gamma phonon frequencies from different way   Paolo Giannozzi
• [Pw_forum] Execution error on 5.1.2 version   Paolo Giannozzi
• [Pw_forum] terahedra method for projwfc   Paolo Giannozzi
• [Pw_forum] Fw: Re: discrepancy in tests   Paolo Giannozzi
• [Pw_forum] Execution error on 5.1.2 version   Paolo Giannozzi
• [Pw_forum] building error   Paolo Giannozzi
• [Pw_forum] error from IOTK   Paolo Giannozzi
• [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)   Paolo Giannozzi
• [Pw_forum] SPLIT WARNING in plotbands.x   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 92, Issue 16   Paolo Giannozzi
• [Pw_forum] Errors while installing Xcrysden   Goytia, Michael
• [Pw_forum] Errors while installing Xcrysden   Goytia, Michael
• [Pw_forum] Errors while installing Xcrysden   Goytia, Michael
• [Pw_forum] Errors while installing Xcrysden   Goytia, Michael
• [Pw_forum] Errors while installing Xcrysden   Goytia, Michael
• [Pw_forum] pwscf 'Relax' problem   Konrad Gruszka
• [Pw_forum] error with GWL compilation   Mahmoud Hammouri
• [Pw_forum] problem with GWW   Mahmoud Hammouri
• [Pw_forum] Pw_forum Digest, Vol 92, Issue 16   Mahmoud Hammouri
• [Pw_forum] GW first example   Mahmoud Hammouri
• [Pw_forum] Mixing Pseudopotentials (Variational Cluster Approximation)   Heil, Christoph
• [Pw_forum] Plottind band structure and minimization curve for silicon   Martin Kamau
• [Pw_forum] Workshop on Accelerated High-Performance Computing in Computational Sciences at ICTP, Trieste   Axel Kohlmeyer
• [Pw_forum] TiO2 nanotube builder?   Axel Kohlmeyer
• [Pw_forum] Compilation Error With ICC   Axel Kohlmeyer
• [Pw_forum] "nproc_ortho > 1 not yet implemented" in projwfc.x run   H. Lee
• [Pw_forum] "nproc_ortho > 1 not yet implemented" in projwfc.x run   H. Lee
• [Pw_forum] jumps in bandstructure   Ludwig, Stephan
• [Pw_forum] jumps in bandstructure   Ludwig, Stephan
• [Pw_forum] occupations=tedrahedra   Ludwig, Stephan
• [Pw_forum] terahedra method for projwfc   Ludwig, Stephan
• [Pw_forum] SPLIT WARNING in plotbands.x   Ludwig, Stephan
• [Pw_forum] problem with fatbands   Ludwig, Stephan
• [Pw_forum] Execution error on 5.1.2 version   Alexander Martins
• [Pw_forum] Execution error on 5.1.2 version   Alexander Martins
• [Pw_forum] Problem With WC Pseudopotentials in "Relax" Process   Nicola Marzari
• [Pw_forum] pseudo hydrogen of 1.75 charge   Giuseppe Mattioli
• [Pw_forum] pseudo hydrogen of 1.75 charge   Giuseppe Mattioli
• [Pw_forum] Hubbard for oxygen   Giuseppe Mattioli
• [Pw_forum] nearest neighbor test   Giuseppe Mattioli
• [Pw_forum] Calculation not converging   Elliot Menkah
• [Pw_forum] Calculation not converging (Ari Paavo Seitsonen)   Elliot Menkah
• [Pw_forum] polarization spin versus non-spin   Mojtaba Mirseraji
• [Pw_forum] why do we relax a system   Mojtaba Mirseraji
• [Pw_forum] Which Pseudopotential is good for relaxing BaTiO3? Help me please   Mojtaba Mirseraji
• [Pw_forum] Which Pseudopotential is good for relaxing BaTiO3? Help me please   Mojtaba Mirseraji
• [Pw_forum] Problem With WC Pseudopotentials in "Relax" Process   Mojtaba Mirseraji
• [Pw_forum] nscf not converging at high doping level   Winfred Mulwa
• [Pw_forum] nearest neighbor test   Winfred Mulwa
• [Pw_forum] Y2O2S inputfile   Winfred Mulwa
• [Pw_forum] magnetic moment   Winfred Mulwa
• [Pw_forum] Problems in gipaw EFG calculations   Carlo Nervi
• [Pw_forum] Problems in gipaw EFG calculations   Carlo Nervi
• [Pw_forum] projected density of states   William Parker
• [Pw_forum] The is an error when run the example.   Lorenzo Paulatto
• [Pw_forum] Gaussian/Lorentzian broadening   Claudio A. Perottoni
• [Pw_forum] QE_Parallel   Gul Rahman
• [Pw_forum] pseudo hydrogen of 1.75 charge   Bipul Rakshit
• [Pw_forum] Doubt in workfunction example for Al100   Bipul Rakshit
• [Pw_forum] Doubt in workfunction example for Al100   Bipul Rakshit
• [Pw_forum] hi   Tayebeh Roohande
• [Pw_forum] SCF correction compared to forces is large   Tayebeh Roohande
• [Pw_forum] some questions on orthogonalized atomic wavefunctions   庞瑞(PANG Rui)
• [Pw_forum] error from pw_readfile- error opening xml data file   Mitesh S
• [Pw_forum] Input file for NaCl molecule in Quantum espresso   Saisudhakar
• [Pw_forum] jumps in bandstructure   Mohammad Sandoghchi
• [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)   Mohammad Sandoghchi
• [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)   Mohammad Sandoghchi
• [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)   Mohammad Sandoghchi
• [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)   Mohammad Sandoghchi
• [Pw_forum] problem with fatbands   Mohammad Sandoghchi
• [Pw_forum] building error   Filippo Savazzi
• [Pw_forum] Trouble with the Fe PBE PAW functional.   Ari P Seitsonen
• [Pw_forum] Calculation not converging   Ari Paavo Seitsonen
• [Pw_forum] Calculation not converging (Ari Paavo Seitsonen)   Ari Paavo Seitsonen
• [Pw_forum] Symmetry Related Error   John Shin
• [Pw_forum] Symmetry Related Error   John Shin
• [Pw_forum] Problems in gipaw EFG calculations   Filippo Spiga
• [Pw_forum] QE_Parallel   Filippo Spiga
• [Pw_forum] error from IOTK   Robert TETOT
• [Pw_forum] terahedra method for projwfc   Debnath Talukdar
• [Pw_forum] Relaxation error with force=NAN in PWSCF v.5.0.2 (svn rev. 9656)   Mehmet Topsakal
• [Pw_forum] TiO2 nanotube builder?   Amin Torabi
• [Pw_forum] Gaussian/Lorentzian broadening   Amin Torabi
• [Pw_forum] Fwd: Gaussian/Lorentzian broadening   Amin Torabi
• [Pw_forum] error from IOTK   Robert Tétot
• [Pw_forum] Treatment of spin polarization in hybrid functionals   Hande Ustunel
• [Pw_forum] Help need   Timothy Uto
• [Pw_forum] Error of running code   Menberu Woldemariam
• [Pw_forum] Error of running code   Menberu Woldemariam
• [Pw_forum] Error of running code   Menberu Woldemariam
• [Pw_forum] Positions of Dopant in Supercell   Mostafa Youssef
• [Pw_forum] Problem With WC Pseudopotentials in "Relax" Process   Mostafa Youssef
• [Pw_forum] Help, about the phonon calculation of GaN.   Jin Zelin
• [Pw_forum] ar_ma86 at libero.it   ar_ma86
• [Pw_forum] Fw: SCF convergence in magnetic system during vc-relax   talpha beta
• [Pw_forum] alloy   sakthivel durai
• [Pw_forum] sakthivel   sakthivel durai
• [Pw_forum] some questions on orthogonalized atomic wavefunctions   stefano de gironcoli
• [Pw_forum] From: wilsun7 at gmail.com   wilsun7 at gmail.com
• [Pw_forum] How to calculate projwfc.x from Car-Parrinello database?   helin
• [Pw_forum] FFT - Help   aritz leonardo
• [Pw_forum] evc   aritz leonardo
• [Pw_forum] errore DFT   bomdyan mohamed
• [Pw_forum] Errors while installing Xcrysden   moury at mpi-muelheim.mpg.de
• [Pw_forum] Errors while installing Xcrysden   moury at mpi-muelheim.mpg.de
• [Pw_forum] Reg: Need of Full relativistic PS for SOC calculations   Peram sreenivasa reddy
• [Pw_forum] Reg: Difference in phonon plot form reciprocal vectors path to conventional vectors path.   Peram sreenivasa reddy
• [Pw_forum] Regarding Constraint Magnetization   paresh rout
• [Pw_forum] Which Pseudopotential is good for relaxing BaTiO3? Help me please   saad sarwar
• [Pw_forum] Huge esa when H2O background is added   huangxu1706 at sina.com
• [Pw_forum] Calculation of celldom1and celldom3 of TaB2   tomy tunde
• [Pw_forum] CALCULATION OF CELLDOM1 AND CELLDOM3 OF TaB2   tomy tunde
• [Pw_forum] error when running Bands.x   vasu v
• [Pw_forum] compiling for Intel Xeon Phi   Евгений Пермяков
• [Pw_forum] compiling for Intel Xeon Phi   Евгений Пермяков
• [Pw_forum] Help, about the phonon calculation of GaN.   于海林
• [Pw_forum] The is an error when run the example.   于海林
• [Pw_forum] Help, about the phonon calculation of GaN.   于海林
• [Pw_forum] Help, about the phonon calculation of GaN.   于海林
• [Pw_forum] about phonon calculation   于海林
• [Pw_forum] Error in routine ggen (1)   邵德喜
• [Pw_forum] Error in routine ggen (1)   邵德喜
• [Pw_forum] Error in routine ggen (1)   邵德喜
• [Pw_forum] dismatch of Gamma phonon frequencies from different way   黄志硕
• [Pw_forum] dismatch of Gamma phonon frequencies from different way   黄志硕
• [Pw_forum] discrepancy in tests   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
• [Pw_forum] Fw: Re: discrepancy in tests   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
• [Pw_forum] uv/vis spectrum simulation on the periodic system   ＷＡＮＧ ＹＵＡＮＱＩＮＧ

Last message date: Tue Mar 31 22:56:15 CEST 2015
Archived on: Wed Feb 28 11:13:04 CET 2018

• Messages sorted by: [ thread ] [ subject ] [ date ]
• More info on this list...