April 2014 Archives by date

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Starting: Tue Apr 1 01:26:45 CEST 2014
Ending: Wed Apr 30 17:30:27 CEST 2014
Messages: 342

• [Pw_forum] QE-GPU v14.03.0 released!   Filippo Spiga
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   xirainbow
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   Peram sreenivasa reddy
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   xirainbow
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   Peram sreenivasa reddy
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   Peram sreenivasa reddy
• [Pw_forum] Using martyna-tuckerman with VdW functionals   xiaochuan Ge
• [Pw_forum] Fwd: Problem with pp.x calculations   Alhassan Shuaibu
• [Pw_forum] PROBLEM WITH PP.X   Alhassan Shuaibu
• [Pw_forum] Using martyna-tuckerman with VdW functionals   Paolo Giannozzi
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   Paolo Giannozzi
• [Pw_forum] Fwd: Problem with pp.x calculations   Juan J. Meléndez
• [Pw_forum] Using martyna-tuckerman with VdW functionals   xiaochuan Ge
• [Pw_forum] projected band structure and Fermi surface calculation   Pietro Bonfa'
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   Peram sreenivasa reddy
• [Pw_forum] Reg: How to know the mode name and due to which atom it is happening?   xirainbow
• [Pw_forum] The response matrix code   Pankaj Sahota
• [Pw_forum] Restarting NEB   Mitul Mundra
• [Pw_forum] About zero forces.   Mutlu COLAKOGULLARI
• [Pw_forum] About zero forces.   Sridhar Sadasivam
• [Pw_forum] About zero forces.   Ari P Seitsonen
• [Pw_forum] About Zero Forces   Mutlu COLAKOGULLARI
• [Pw_forum] About zero forces.   Giovanni Cantele
• [Pw_forum] About Zero Forces.   Mutlu COLAKOGULLARI
• [Pw_forum] About Zero Forces   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] projected band structure and Fermi surface calculation   Peng Chen
• [Pw_forum] GPU14.03 compiling error   薛诗川
• [Pw_forum] Incorrect magnetic moment from PWSCF   anyy zsj
• [Pw_forum] parallel computing -reg.,   Muthu V
• [Pw_forum] parallel computing -reg.,   Axel Kohlmeyer
• [Pw_forum] Magnetic moment   anyy zsj
• [Pw_forum] QE v.5.0.2: the openmpi parallel problem   yjunwei2012
• [Pw_forum] QE v.5.0.2: the openmpi parallel problem   Lorenzo Paulatto
• [Pw_forum] QE v.5.0.2: the openmpi parallel problem   Giovanni Cantele
• [Pw_forum] (no subject)   薛诗川
• [Pw_forum] Incorrect magnetic moment from PWSCF   Ari P Seitsonen
• [Pw_forum] QE v.5.0.2: the openmpi parallel problem   yjunwei2012
• [Pw_forum] QE v.5.0.2: the openmpi parallel problem   yjunwei2012
• [Pw_forum] Solved! The parallel problem!   yjunwei2012
• [Pw_forum] Incorrect magnetic moment from PWSCF   anyy zsj
• [Pw_forum] Problem with PDOS of ionic crystals   Alexander G. Kvashnin
• [Pw_forum] Problem with PDOS of ionic crystals   Alexander G. Kvashnin
• [Pw_forum] Problem with PDOS of ionic crystals   Giovanni Cantele
• [Pw_forum] Incorrect magnetic moment from PWSCF   Ari P Seitsonen
• [Pw_forum] Ag.pbe-dn-rrkjus_psl.0.1.UPF   fatih.ersan at adu.edu.tr
• [Pw_forum] Gibbs Free energy   Saied Md Pratik
• [Pw_forum] Problem with PDOS of ionic crystals   Alexander G. Kvashnin
• [Pw_forum] Gibbs Free energy   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Ag.pbe-dn-rrkjus_psl.0.1.UPF   Andrea Dal Corso
• [Pw_forum] GPU14.03 compiling error   Filippo Spiga
• [Pw_forum] Gibbs Free energy   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Ag.pbe-dn-rrkjus_psl.0.1.UPF   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Problem with PDOS of ionic crystals   Giovanni Cantele
• [Pw_forum] Gibbs Free energy   Paolo Giannozzi
• [Pw_forum] Problem with PDOS of ionic crystals   Alexander G. Kvashnin
• [Pw_forum] Fwd: Ag.pbe-dn-rrkjus_psl.0.1.UPF   fatih.ersan at adu.edu.tr
• [Pw_forum] projected band structure and Fermi surface calculation   Pietro Bonfa'
• [Pw_forum] Error in making NEB movie   Mitul Mundra
• [Pw_forum] 5.0.99: NEB: build fails   balducci at univ.trieste.it
• [Pw_forum] 5.0.99: NEB: build fails   Paolo Giannozzi
• [Pw_forum] Gibbs Free energy   Uri Argaman
• [Pw_forum] parallel computing -reg.,   ashkan shekaari
• [Pw_forum] GPU14.03 compiling error   Filippo Spiga
• [Pw_forum] GPU14.03 compiling error   薛诗川
• [Pw_forum] GPU14.03 compiling error   薛诗川
• [Pw_forum] 5.0.99: NEB: build fails   balducci at univ.trieste.it
• [Pw_forum] GPU14.03 execution question   薛诗川
• [Pw_forum] Optical properties   zafar rasheed
• [Pw_forum] Error Testing Vanderbilt Pseudopotentials   Zarah Baiyee
• [Pw_forum] Error Testing Vanderbilt Pseudopotentials   Paolo Giannozzi
• [Pw_forum] Question about GGA+U in DFPT   Jiawei Zhou (周嘉炜)
• [Pw_forum] 18 negative frequencies   Jie Jiang
• [Pw_forum] GPU14.03 compiling error   PePe
• [Pw_forum] Projected Bands Using QE   Ajit Kumar Jena
• [Pw_forum] Projected Bands Using QE   B D SAHOO
• [Pw_forum] Projected Bands Using QE   Ajit Kumar Jena
• [Pw_forum] GPU14.03 compiling error   Ari P Seitsonen
• [Pw_forum] GPU14.03 compiling error   Ari P Seitsonen
• [Pw_forum] GPU14.03 compiling error   PePe
• [Pw_forum] GPU14.03 compiling error   PePe
• [Pw_forum] need pwscf large-scale input test file HELP   薛诗川
• [Pw_forum] need pwscf large-scale input test file HELP   Michael Sullivan (IHPC)
• [Pw_forum] error with PP testing   Zarah Baiyee
• [Pw_forum] need pwscf large-scale input test file HELP   薛诗川
• [Pw_forum] Format specification of UPF version 1   Merlin Meheut
• [Pw_forum] Projected Bands Using QE   Thomas Brumme
• [Pw_forum] Projected Bands Using QE   Guido Fratesi
• [Pw_forum] question about correctness   薛诗川
• [Pw_forum] Wrong phonon frequencies   Jie Jiang
• [Pw_forum] question about correctness   Lorenzo Paulatto
• [Pw_forum] How to decrease the forces on atoms for relaxation   Elio Physics
• [Pw_forum] Projected Bands Using QE   Ajit Kumar Jena
• [Pw_forum] error when testing large workload   薛诗川
• [Pw_forum] QE 5.1 SIGABRT GWW   Lorenzo Donà
• [Pw_forum] QE 5.1 SIGABRT GWW   Paolo Giannozzi
• [Pw_forum] QE 5.1 SIGABRT GWW   Lorenzo Donà
• [Pw_forum] QE 5.1 SIGABRT GWW   Axel Kohlmeyer
• [Pw_forum] QE 5.1 SIGABRT GWW   Paolo Giannozzi
• [Pw_forum] QE 5.1 SIGABRT GWW   Lori 91 aaaaaa
• [Pw_forum] QE GPU acceleration pool performance   子逸 張
• [Pw_forum] QE 5.1 SIGABRT GWW   Lorenzo Donà
• [Pw_forum] QE 5.1 SIGABRT GWW   Paolo Giannozzi
• [Pw_forum] QE 5.1 SIGABRT GWW   Lorenzo Donà
• [Pw_forum] QE GPU acceleration pool performance   Ivan Girotto
• [Pw_forum] Format specification of UPF version 1   Paolo Giannozzi
• [Pw_forum] error when running GRIR443   薛诗川
• [Pw_forum] error when running GRIR443   Lorenzo Paulatto
• [Pw_forum] error when running GRIR443   薛诗川
• [Pw_forum] About the part of molteplicities in resp_mat.f90 script of U-calculation   huangxu1706 at sina.com
• [Pw_forum] Error in routine davcio (10)   Pourya Ayria
• [Pw_forum] Error in routine davcio (10)   yelena
• [Pw_forum] GIPAW in QE 5.0.2   roberta
• [Pw_forum] pp.x with gamma-only calculations   Juan J. Meléndez
• [Pw_forum] pp.x with gamma-only calculations   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] pp.x with gamma-only calculations   Paolo Giannozzi
• [Pw_forum] pp.x with gamma-only calculations   Juan J. Meléndez
• [Pw_forum] scf convergence for 1-d insulator   Ankit
• [Pw_forum] scf convergence for 1-d insulator   Ankit
• [Pw_forum] metal optimization tricks and constraining atomic position in a slab   David Foster
• [Pw_forum] scf convergence for 1-d insulator   Paolo Giannozzi
• [Pw_forum] scf convergence for 1-d insulator   Paolo Giannozzi
• [Pw_forum] scf convergence for 1-d insulator   Ankit
• [Pw_forum] ZnO nanosheet   Saleem Ayaz
• [Pw_forum] Question about GGA+U in DFPT   Andrea Floris
• [Pw_forum] ZnO nanosheet   fatih.ersan at adu.edu.tr
• [Pw_forum] Error in routine divide_class (1): Wrong classes for T_h when using "verbosity='high' "   Blanca Romero, Ariadna
• [Pw_forum] Question about GGA+U in DFPT   Suza W
• [Pw_forum] Question about GGA+U in DFPT   Andrea Floris
• [Pw_forum] Question about GGA+U in DFPT   Axel Kohlmeyer
• [Pw_forum] GIPAW in QE 5.0.2   Davide Ceresoli
• [Pw_forum] metal optimization tricks and constraining in slab   David Foster
• [Pw_forum] GIPAW in QE 5.0.2   roberta
• [Pw_forum] metal optimization tricks and constraining in slab   David Foster
• [Pw_forum] metal optimization tricks and constraining in slab   Paolo Giannozzi
• [Pw_forum] metal optimization tricks and constraining in slab   Axel Kohlmeyer
• [Pw_forum] metal optimization tricks and constraining in slab   David Foster
• [Pw_forum] negative phonon frequencies for 1-D system   Ankit
• [Pw_forum] Hybrid functional q-point convergence error   Rajdeep Banerjee
• [Pw_forum] Hybrid functional q-point convergence error   Lorenzo Paulatto
• [Pw_forum] Problem with installation   jv sharma
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   Ankit
• [Pw_forum] negative phonon frequencies for 1-D polymer chain (forgot to attach files in previous mail)   Ankit
• [Pw_forum] Pw_forum Digest, Vol 81, Issue 13   Rajdeep Banerjee
• [Pw_forum] Pw_forum Digest, Vol 81, Issue 13   Lorenzo Paulatto
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   Sanjeev Gupta
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   ankit jain
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   Prasenjit Ghosh
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   ankit jain
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   Prasenjit Ghosh
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   ankit jain
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   Sanjeev Gupta
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   ankit jain
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   ankit jain
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   Andrea Dal Corso
• [Pw_forum] Too big atomic spheres error   raha khalili
• [Pw_forum] espresso-5.0.2 error when testing modules   薛诗川
• [Pw_forum] Too big atomic spheres error   Gabriele Sclauzero
• [Pw_forum] bad Fermi energy   Tommaso Francese
• [Pw_forum] Too big atomic spheres error   raha khalili
• [Pw_forum] Too big atomic spheres error   Sclauzero Gabriele
• [Pw_forum] Too big atomic spheres error   raha khalili
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   ankit jain
• [Pw_forum] espresso-5.0.2 error when testing modules   薛诗川
• [Pw_forum] negative phonon frequencies for 1-D polymer chain   Ankit
• [Pw_forum] espresso-5.0.2 error when testing modules   Fabricio Cannini
• [Pw_forum] copper norm-conserving pseudopotential   Amin Torabi
• [Pw_forum] bad Fermi energy   Paolo Giannozzi
• [Pw_forum] Thermo   Suza W
• [Pw_forum] Hybrid functional q-point convergence error (Lorenzo Paulatto)   Rajdeep Banerjee
• [Pw_forum] Thermo   Layla Martin-Samos
• [Pw_forum] Thermo   Suza W
• [Pw_forum] Thermo   Layla Martin-Samos
• [Pw_forum] Thermo   Lorenzo Paulatto
• [Pw_forum] QE 5.0.99: invalid pointer error   Денис Завелев
• [Pw_forum] Thermo   Suza W
• [Pw_forum] Thermo   Paolo Giannozzi
• [Pw_forum] parallel computing -reg.   Muthu V
• [Pw_forum] High Ecut for Ultrasoft PPs   Zarah Baiyee
• [Pw_forum] High Ecut for Ultrasoft PPs   Nicola Marzari
• [Pw_forum] High Ecut for Ultrasoft PPs   Zarah Baiyee
• [Pw_forum] phonon parallelism   Uri Argaman
• [Pw_forum] phonon parallelism   Sanjeev Gupta
• [Pw_forum] The occupation of orbitals.   MISSAOUI Jamil
• [Pw_forum] zero activation energy in NEB calculations   manchugh at iitk.ac.in
• [Pw_forum] zero activation energy in NEB calculations   manchugh at iitk.ac.in
• [Pw_forum] zero activation energy in NEB calculations   Manjusha Chugh
• [Pw_forum] zero activation energy in NEB calculations   manchugh at iitk.ac.in
• [Pw_forum] zero activation energy in NEB calculations   Giuseppe Mattioli
• [Pw_forum] problems with running Quantum Espresso in parallel   torstein.fjermestad at unito.it
• [Pw_forum] zero activation energy in NEB calculations   manchugh at iitk.ac.in
• [Pw_forum] problems with running Quantum Espresso in parallel   Axel Kohlmeyer
• [Pw_forum] Downloaded Pseudopotential.   Omamuyovwi Akemu
• [Pw_forum] Downloaded Pseudopotential.   Nguyen Chuong
• [Pw_forum] Downloaded Pseudopotential.   Axel Kohlmeyer
• [Pw_forum] phonon linewidth   Hongliang Xin
• [Pw_forum] Phonon Dispersion using matdyn.x   ankit jain
• [Pw_forum] Problem with relax under e-field: Limit of e-field magnitude for 2-D sheet like systems   Rajdeep Banerjee
• [Pw_forum] supercell and k-point   David Foster
• [Pw_forum] supercell and k-point   xirainbow
• [Pw_forum] Fwd: au111 surface   raha khalili
• [Pw_forum] Fwd: au111 surface   Ari P Seitsonen
• [Pw_forum] Fwd: au111 surface   Masoud Nahali
• [Pw_forum] Fwd: au111 surface   raha khalili
• [Pw_forum] how to expolit the parallelism   Davide Tiana
• [Pw_forum] Fwd: phonon   Rohollah Zare
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   David Foster
• [Pw_forum] Fwd: au111 surface   David Foster
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   Yun Wang
• [Pw_forum] (no subject)   Dingfu Shao
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   David Foster
• [Pw_forum] error in the NSCF calculation with a large number of kpoints.   Dingfu Shao
• [Pw_forum] error in the NSCF calculation with a large number of kpoints.   Axel Kohlmeyer
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   Axel Kohlmeyer
• [Pw_forum] Thermo   Suza W
• [Pw_forum] error in the NSCF calculation with a large number of kpoints.   Paolo Giannozzi
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   David Foster
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   Axel Kohlmeyer
• [Pw_forum] Fwd: au111 surface   raha khalili
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   David Foster
• [Pw_forum] Fwd: au111 surface   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Fwd: au111 surface   David Foster
• [Pw_forum] problems with pp.x plot_num=[8,17]   Thomas Gruber
• [Pw_forum] Fwd: au111 surface   Mike Atambo
• [Pw_forum] q-mesh breaks symmetry   BENYAHIA NEZHA
• [Pw_forum] q-mesh breaks symmetry   Ari P Seitsonen
• [Pw_forum] QE interface with LIBXC   Ananya Mondal
• [Pw_forum] QE interface with LIBXC   Mike Marchywka
• [Pw_forum] kpint.x   Halima Zaari
• [Pw_forum] kpint.x   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Error in routine cdiaghg (427): S matrix not positive definite   kulwinder kaur
• [Pw_forum] kpint.x   Halima Zaari
• [Pw_forum] QE interface with LIBXC   Lorenzo Paulatto
• [Pw_forum] problems with running Quantum Espresso in parallel   torstein.fjermestad at unito.it
• [Pw_forum] problems with running Quantum Espresso in parallel   Lorenzo Paulatto
• [Pw_forum] error in the NSCF calculation with a large number of kpoints.   dingfu.shao
• [Pw_forum] QE interface with LIBXC   Éric Germaneau
• [Pw_forum] Relax problem   yjunwei2012
• [Pw_forum] problems with running Quantum Espresso in parallel   torstein.fjermestad at unito.it
• [Pw_forum] The relax problem   yjunwei2012
• [Pw_forum] Hubbard U on surface   庞瑞
• [Pw_forum] Hubbard U on surface   Thomas Brumme
• [Pw_forum] The relax problem   manchugh at iitk.ac.in
• [Pw_forum] Hubbard U on surface   Mike Marchywka
• [Pw_forum] Question: inconsistency for d3 between symmetry on and off?   Jiawei Zhou (周嘉炜)
• [Pw_forum] q-mesh breaks symmetry   BENYAHIA NEZHA
• [Pw_forum] The relax problem   yjunwei2012
• [Pw_forum] The relax problem   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Fwd: problem when calculating the electron-phonon coefficients   董旭
• [Pw_forum] The relax problem   yjunwei2012
• [Pw_forum] Limit of e-field magnitude for 2-D sheet like systems   Rajdeep Banerjee
• [Pw_forum] Looking for crashes in gipaw-5.0.x output   Davide Ceresoli
• [Pw_forum] xml_recover problem with phonon (ph.x) restart job   Ary Junior
• [Pw_forum] xml_recover problem with phonon (ph.x) restart job   Ary Junior
• [Pw_forum] Fwd: copper norm-conserving pseudopotential   Amin Torabi
• [Pw_forum] Constant energy surface   Juliana Morbec
• [Pw_forum] Mixing factor   Tommy
• [Pw_forum] Thermo   Paolo Giannozzi
• [Pw_forum] problems with pp.x plot_num=[8,17]   Paolo Giannozzi
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   Paolo Giannozzi
• [Pw_forum] how to expolit the parallelism   Paolo Giannozzi
• [Pw_forum] QE 5.0.99: invalid pointer error   Paolo Giannozzi
• [Pw_forum] Problem starting a phonon calculation (phq_readin (17))   Jota Be
• [Pw_forum] q-mesh breaks symmetry   Ari P Seitsonen
• [Pw_forum] Problem starting a phonon calculation (phq_readin (17))   Lorenzo Paulatto
• [Pw_forum] Mixing factor-errata corrige   Tommaso Francese
• [Pw_forum] tpss: too many bands are not converged   Davide Tiana
• [Pw_forum] Fwd: copper norm-conserving pseudopotential   Lorenzo Paulatto
• [Pw_forum] "DFT+U"   francesca costanzo
• [Pw_forum] tpss: too many bands are not converged   Yves Ferro
• [Pw_forum] "DFT+U"   Pietro Bonfa'
• [Pw_forum] tpss: too many bands are not converged   Mike Marchywka
• [Pw_forum] "DFT+U"   Matteo Cococcioni
• [Pw_forum] "DFT+U"   francesca costanzo
• [Pw_forum] Fwd: copper norm-conserving pseudopotential   Amin Torabi
• [Pw_forum] Fwd: copper norm-conserving pseudopotential   Lorenzo Paulatto
• [Pw_forum] Problem starting a phonon calculation (phq_readin (17))   Jota Be
• [Pw_forum] Fwd: copper norm-conserving pseudopotential   Pietro Bonfa'
• [Pw_forum] Regarding LO-TO phonon dispersions for semiconductors and insulators   Kondaiah Samudrala
• [Pw_forum] xcrysden   mohammad moaddeli
• [Pw_forum] tpss: too many bands are not converged   Paolo Giannozzi
• [Pw_forum] phonon linewidth   Paolo Giannozzi
• [Pw_forum] a problem about the parallelism, showing 'Parallel version (MPI & OpenMP)' in the out file   董旭
• [Pw_forum] tpss: too many bands are not converged   Mike Marchywka
• [Pw_forum] xcrysden   Tone Kokalj
• [Pw_forum] Regarding Phonon dispersions   Kondaiah Samudrala
• [Pw_forum] xcrysden   mohammad moaddeli
• [Pw_forum] q-mesh breaks symmetry   BENYAHIA NEZHA
• [Pw_forum] Relax calculation   Sohail Ahmad
• [Pw_forum] a problem about the parallelism, showing 'Parallel version (MPI & OpenMP)' in the out file   Paolo Giannozzi
• [Pw_forum] QE interface with LIBXC   Ananya Mondal
• [Pw_forum] tpss: too many bands are not converged   Ananya Mondal
• [Pw_forum] Regarding Phonon dispersions   Sanjeev Gupta
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   jiaxu yan
• [Pw_forum] fluctuation in SCF energies of CO adsorbed on Pd110   David Foster
• [Pw_forum] Regarding Phonon dispersions   Kondaiah Samudrala
• [Pw_forum] possibility of relax calculations with saw-tooth potentials (tefield)   Rajdeep Banerjee
• [Pw_forum] espresso 5.0.2 - compiling   mohammad moaddeli
• [Pw_forum] Relax calculation   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] DFT+U convergence   Zarah Baiyee
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   Sclauzero Gabriele
• [Pw_forum] Hello!   Junxiang Chen
• [Pw_forum] binding energy of molecular oxygen   Junxiang Chen
• [Pw_forum] possibility of relax calculations with saw-tooth potentials (tefield)   Sclauzero Gabriele
• [Pw_forum] binding energy of molecular oxygen   Lorenzo Paulatto
• [Pw_forum] DFT+U convergence   Giuseppe Mattioli
• [Pw_forum] binding energy of molecular oxygen   Giuseppe Mattioli
• [Pw_forum] binding energy of molecular oxygen   Junxiang Chen
• [Pw_forum] How to calculate the adsorption free energy of a O2*   Junxiang Chen
• [Pw_forum] DFT+U and non-collinear calculations   Pietro Bonfa'
• [Pw_forum] binding energy of molecular oxygen   Junxiang Chen
• [Pw_forum] GIPAW in qE 5.0.3 - problems computing cholesky decomposition   roberta pigliapochi
• [Pw_forum] espresso 5.0.2 - compiling   Paolo Giannozzi
• [Pw_forum] binding energy of molecular oxygen   Junxiang Chen
• [Pw_forum] binding energy of molecular oxygen   Lorenzo Paulatto
• [Pw_forum] binding energy of molecular oxygen   Junxiang Chen
• [Pw_forum] binding energy of molecular oxygen   Giuseppe Mattioli
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   jiaxu yan
• [Pw_forum] convergence   Tommaso Francese
• [Pw_forum] convergence   Ijäs Mari
• [Pw_forum] convergence   Arles V. Gil Rebaza
• [Pw_forum] convergence   Paolo Giannozzi
• [Pw_forum] possibility of relax calculations with saw-tooth potentials (tefield)   Rajdeep Banerjee
• [Pw_forum] DFT+U convergence   Zarah Baiyee
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   Dmitry Korotin
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   jiaxu yan
• [Pw_forum] Pw_forum Digest, Vol 81, Issue 29   Tommaso Francese
• [Pw_forum] UPF version 1 pseudopotentials   Vaida Arcisauskaite
• [Pw_forum] UPF version 1 pseudopotentials   Paolo Giannozzi
• [Pw_forum] DFT+U and non-collinear calculations   Alex Smogunov
• [Pw_forum] DFT+U and non-collinear calculations   Pietro Bonfa'
• [Pw_forum] DFT+U and non-collinear calculations   Alex Smogunov
• [Pw_forum] DFT+U and non-collinear calculations   Pietro Bonfa'
• [Pw_forum] possibility of relax calculations with saw-tooth potentials (tefield)   Gabriele Sclauzero
• [Pw_forum] UPF version 1 pseudopotentials   Vaida Arcisauskaite
• [Pw_forum] possibility of relax calculations with saw-tooth potentials (tefield) (Gabriele Sclauzero)   Rajdeep Banerjee
• [Pw_forum] atoms overlapped   Tommaso Francese
• [Pw_forum] UPF version 1 pseudopotentials   Paolo Giannozzi
• [Pw_forum] atoms overlapped   Giovanni Cantele
• [Pw_forum] atoms overlapped   Pascal BOULET
• [Pw_forum] DFT+U and non-collinear calculations   Paolo Giannozzi
• [Pw_forum] DFT+U and non-collinear calculations   Pietro Bonfa'

Last message date: Wed Apr 30 17:30:27 CEST 2014
Archived on: Wed Feb 28 11:11:04 CET 2018

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