September 2012 Archives by date

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Starting: Sun Sep 2 06:09:50 CEST 2012
Ending: Sun Sep 30 21:24:35 CEST 2012
Messages: 319

• [Pw_forum] strange results for phonon frequencies.   Elie M
• [Pw_forum] strange results for phonon frequencies.   Axel Kohlmeyer
• [Pw_forum] london   bf azi
• [Pw_forum] london   Ari P Seitsonen
• [Pw_forum] strange results for phonon frequencies.   Paolo Giannozzi
• [Pw_forum] PAW for vdw-DF2   florence liu
• [Pw_forum] EXX_examples   Saeedeh S Ravandi
• [Pw_forum] EXX_examples   Layla Martin-Samos
• [Pw_forum] phd felloships announcement   Layla Martin-Samos
• [Pw_forum] PAW for vdw-DF2   Paolo Giannozzi
• [Pw_forum] EXX_examples , Molecules and InAs   Saeedeh S Ravandi
• [Pw_forum] EXX_examples , Molecules and InAs   Axel Kohlmeyer
• [Pw_forum] EXX_examples , Molecules and InAs   Layla Martin-Samos
• [Pw_forum] Pseudopotential for Hafnium (Hf)   Romeda Azeen
• [Pw_forum] Pseudopotential for Hafnium (Hf)   Romeda Azeen
• [Pw_forum] Pseudopotential for Hafnium (Hf)   Axel Kohlmeyer
• [Pw_forum] looking for Er pseudopotential   shangy
• [Pw_forum] EXX_examples , Molecules and InAs   Saeedeh S Ravandi
• [Pw_forum] EXX_examples , Molecules and InAs   Layla Martin-Samos
• [Pw_forum] GIPAW problems   Zbigniew Lodziana
• [Pw_forum] Pseudopotential for Hafnium (Hf)   Nicola Marzari
• [Pw_forum] Possible bug(?) in q2r.x when using FFT routine in ESSL   Jiseok Kim
• [Pw_forum] Pseudopotential for Hafnium (Hf)   Romeda Azeen
• [Pw_forum] strange results for phonon frequencies.   Elie M
• [Pw_forum] error: wrong order of k-points   Elie M
• [Pw_forum] How to plot bands perfectly with plotband.x?   Yue-Wen Fang
• [Pw_forum] How to plot bands perfectly with plotband.x?   Andrea Dal Corso
• [Pw_forum] How to plot bands perfectly with plotband.x?   Yue-Wen Fang
• [Pw_forum] How to plot bands perfectly with plotband.x?   Andrea Dal Corso
• [Pw_forum] How to plot bands perfectly with plotband.x?   Yue-Wen Fang
• [Pw_forum] Pw_forum Digest, Vol 63, Issue 7   Onaiwu Kingsley Nosa
• [Pw_forum] vc-relax : total force does not converge   Jiseok Kim
• [Pw_forum] Pw_forum Digest, Vol 63, Issue 8   Ramesh Kumar
• [Pw_forum] vc-relax : total force does not converge   Jiseok Kim
• [Pw_forum] vc-relax : total force does not converge   Lorenzo Paulatto
• [Pw_forum] GIPAW problems   Emine Kucukbenli
• [Pw_forum] clock shew detected   yqsu
• [Pw_forum] GIPAW problems   Prasenjit Ghosh
• [Pw_forum] vc-relax : total force does not converge (Lorenzo Paulatto)   Jiseok Kim
• [Pw_forum] error when using dynmat.x   Elie M
• [Pw_forum] clock shew detected   Axel Kohlmeyer
• [Pw_forum] GIPAW problems   Zbigniew Lodziana
• [Pw_forum] error when using dynmat.x   Paolo Giannozzi
• [Pw_forum] error when using dynmat.x   Lorenzo Paulatto
• [Pw_forum] vc-relax : total force does not converge (Lorenzo Paulatto)   Paolo Giannozzi
• [Pw_forum] oscillation of P T in cp   Riping Wang
• [Pw_forum] supercell for cpmd   Riping Wang
• [Pw_forum] GIPAW problems   Prasenjit Ghosh
• [Pw_forum] GIPAW problems   Gabriele Sclauzero
• [Pw_forum] GIPAW problems   Prasenjit Ghosh
• [Pw_forum] clock shew detected   Stefano Baroni
• [Pw_forum] GIPAW problems   Paolo Giannozzi
• [Pw_forum] error when using dynmat.x   Elie M
• [Pw_forum] supercell   Ruibin Liu
• [Pw_forum] full version of QE-5.0-GPU   Bramha Pandey
• [Pw_forum] full version of QE-5.0-GPU   Lorenzo Paulatto
• [Pw_forum] full version of QE-5.0-GPU   Bramha Pandey
• [Pw_forum] W full relativistic pseudopotential   程迎春
• [Pw_forum] supercell   Layla Martin-Samos
• [Pw_forum] W full relativistic pseudopotential   GAO Zhe
• [Pw_forum] W full relativistic pseudopotential   程迎春
• [Pw_forum] full version of QE-5.0-GPU   Filippo Spiga
• [Pw_forum] Density of states   Peng Chen
• [Pw_forum] Density of states   jia chen
• [Pw_forum] Density of states   GAO Zhe
• [Pw_forum] IOTK library   Ruibin Liu
• [Pw_forum] IOTK library   Axel Kohlmeyer
• [Pw_forum] generate pseudopotential   bf azi
• [Pw_forum] electron phonon coupling in semiconductors   Bo Qiu
• [Pw_forum] Density of states   Peng Chen
• [Pw_forum] comparison of ph.x and dynmat.x results   Elie M
• [Pw_forum] comparison of ph.x and dynmat.x results   Stefano de Gironcoli
• [Pw_forum] Problem with Pseudopotentials and Input Information   Paolo Giannozzi
• [Pw_forum] Problem with Pseudopotentials and Input Information   Lorenzo Paulatto
• [Pw_forum] comparison of ph.x and dynmat.x results   Elie M
• [Pw_forum] Error/Warning in Ph.x   ramesh kumar
• [Pw_forum] Problem with Pseudopotentials and Input Information   Matthew M Montemore
• [Pw_forum] Occupation number   Peng Chen
• [Pw_forum] Occupation number   Stefano de Gironcoli
• [Pw_forum] Occupation number   Peng Chen
• [Pw_forum] Error/Warning in Ph.x   Paolo Giannozzi
• [Pw_forum] Problem with Pseudopotentials and Input Information   Paolo Giannozzi
• [Pw_forum] Error/Warning in Ph.x (Paolo Giannozzi)   ramesh kumar
• [Pw_forum] pbe with norm conserving pp convergence problem   Peng Chen
• [Pw_forum] question about pp for Raman calculation   James Mao
• [Pw_forum] question about pp for Raman calculation   Paolo Giannozzi
• [Pw_forum] question about pp for Raman calculation   Axel Kohlmeyer
• [Pw_forum] make error (module global_version.mod)   Jennifer Wohlwend
• [Pw_forum] question about pp for Raman calculation   bamidele ibrahim
• [Pw_forum] make error (module global_version.mod)   Paolo Giannozzi
• [Pw_forum] make error (module global_version.mod)   Jennifer Wohlwend
• [Pw_forum] make error (module global_version.mod)   Paolo Giannozzi
• [Pw_forum] comparison of ph.x and dynmat.x results   Elie M
• [Pw_forum] question about pp for Raman calculation   James Mao
• [Pw_forum] question about pp for Raman calculation   James Mao
• [Pw_forum] question about pp for Raman calculation   Paolo Giannozzi
• [Pw_forum] Problem with Pseudopotentials and Input Information   Matthew M Montemore
• [Pw_forum] comparison of ph.x and dynmat.x results   Vinay Hegde
• [Pw_forum] pbe with norm conserving pp convergence problem   Paolo Giannozzi
• [Pw_forum] make error (module global_version.mod)   Jennifer Wohlwend
• [Pw_forum] make error (module global_version.mod)   Paolo Giannozzi
• [Pw_forum] electron phonon coupling in semiconductors   Paolo Giannozzi
• [Pw_forum] pbe with norm conserving pp convergence problem   Peng Chen
• [Pw_forum] pbe with norm conserving pp convergence problem   Jia Chen
• [Pw_forum] pbe with norm conserving pp convergence problem   Peng Chen
• [Pw_forum] pbe with norm conserving pp convergence problem   Jia Chen
• [Pw_forum] electron phonon coupling in semiconductors   Bo Qiu
• [Pw_forum] pbe with norm conserving pp convergence problem   Paolo Giannozzi
• [Pw_forum] error 1   Sakhrawi Taoufek
• [Pw_forum] GPU   Amir hosseini
• [Pw_forum] GPU   Axel Kohlmeyer
• [Pw_forum] GPU   Filippo Spiga
• [Pw_forum] make error (module global_version.mod)   Jennifer Wohlwend
• [Pw_forum] wrong total_weight error with matdyn   Thomas Gruber
• [Pw_forum] wrong total_weight error with matdyn   Paolo Giannozzi
• [Pw_forum] wrong total_weight error with matdyn   Paolo Giannozzi
• [Pw_forum] quadrupole monents & GIPAW & a problem   Zbigniew Lodziana
• [Pw_forum] make error (module global_version.mod)   Filippo Spiga
• [Pw_forum] pbe with norm conserving pp convergence problem   Peng Chen
• [Pw_forum] quadrupole monents & GIPAW & a problem   Davide Ceresoli
• [Pw_forum] upf_v1_format option no more available in 5.0.1 '   Latévi Max LAWSON DAKU
• [Pw_forum] upf_v1_format option no more available in 5.0.1 '   Paolo Giannozzi
• [Pw_forum] wrong total_weight error with matdyn   Thomas Gruber
• [Pw_forum] upf_v1_format option no more available in 5.0.1 '   Latévi Max LAWSON DAKU
• [Pw_forum] quadrupole monents & GIPAW & a problem   Zbigniew Lodziana
• [Pw_forum] The cell blowing up in MD simulation   Tian Lan
• [Pw_forum] pb_small error   amei2 at illinois.edu
• [Pw_forum] No compatible Gipaw and Quantum Espresso available   Jarkko Vähäkangas
• [Pw_forum] No compatible Gipaw and Quantum Espresso available   Paolo Giannozzi
• [Pw_forum] No compatible Gipaw and Quantum Espresso available   Jarkko Vähäkangas
• [Pw_forum] No compatible Gipaw and Quantum Espresso available   Paolo Giannozzi
• [Pw_forum] pb_small error   Paolo Giannozzi
• [Pw_forum] upf_v1_format option no more available in 5.0.1 '   Paolo Giannozzi
• [Pw_forum] The cell blowing up in MD simulation   Paolo Giannozzi
• [Pw_forum] wrong total_weight error with matdyn   Paolo Giannozzi
• [Pw_forum] gamma phonon calculation error using phcg.x   Bramha Pandey
• [Pw_forum] gamma phonon calculation error using phcg.x   Paolo Giannozzi
• [Pw_forum] gamma phonon calculation error using phcg.x   Bramha Pandey
• [Pw_forum] No compatible Gipaw and Quantum Espresso available   Layla Martin-Samos
• [Pw_forum] The cell blowing up in MD simulation   Tian Lan
• [Pw_forum] The cell blowing up in MD simulation   Paolo Giannozzi
• [Pw_forum] How to make use of PSlibrary?   Yue-Wen Fang
• [Pw_forum] How to make use of PSlibrary?   bamidele ibrahim
• [Pw_forum] Density of states   Sohail Ahmad
• [Pw_forum] Density of states   Sanjeev Gupta
• [Pw_forum] hse06 vs pbe0   florence liu
• [Pw_forum] hse06 vs pbe0   Paolo Giannozzi
• [Pw_forum] How to calculate the adsorption energy of ion (charged particle) on the surface of semiconductor?   yavar pour azar
• [Pw_forum] How to make use of PSlibrary?   Yue-Wen Fang
• [Pw_forum] How to make use of PSlibrary?   Paolo Giannozzi
• [Pw_forum] Density of states   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] How to make use of PSlibrary?   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Lorenzo Paulatto
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] How to make use of PSlibrary?   Lorenzo Paulatto
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] How to make use of PSlibrary?   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] pw.x does not work   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] pw.x does not work   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Yue-Wen Fang
• [Pw_forum] pw.x does not work   Paolo Giannozzi
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] pw.x does not work   Lorenzo Paulatto
• [Pw_forum] Wired and large (4Ry) total energy difference on different machines   Fenggong Wang
• [Pw_forum] Wired and large (4Ry) total energy difference on different machines   Paolo Giannozzi
• [Pw_forum] Wired and large (4Ry) total energy difference on different machines   Fenggong Wang
• [Pw_forum] el-ph in Nb   Iyad AL-QASIR
• [Pw_forum] pw.x does not work   Filippo Spiga
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] pw.x does not work   Paolo Giannozzi
• [Pw_forum] pw.x does not work   Filippo Spiga
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] pw.x does not work   Pablo García Risueño
• [Pw_forum] charge density difference calculation error!   Yue-Wen Fang
• [Pw_forum] charge density difference calculation error!   Gabriele Sclauzero
• [Pw_forum] charge density difference calculation error!   Yue-Wen Fang
• [Pw_forum] charge density difference calculation error!   Gabriele Sclauzero
• [Pw_forum] charge density difference calculation error!   Yue-Wen Fang
• [Pw_forum] el-ph in Nb   Iyad AL-QASIR
• [Pw_forum] Queries regarding fixed-spin moment phonon calculations and DFPT+U   Subhradip Ghosh
• [Pw_forum] charge density difference calculation error!   Gabriele Sclauzero
• [Pw_forum] charge density difference calculation error!   Yue-Wen Fang
• [Pw_forum] charge density difference calculation error!   Yue-Wen Fang
• [Pw_forum] charge density difference calculation error!   Gabriele Sclauzero
• [Pw_forum] charge density difference calculation error!   Gabriele Sclauzero
• [Pw_forum] charge density difference calculation error!   Yue-Wen Fang
• [Pw_forum] doubts (problems?) in DOS calculation   Davide Tiana
• [Pw_forum] doubts (problems?) in DOS calculation   Yue-Wen Fang
• [Pw_forum] doubts (problems?) in DOS calculation   bamidele ibrahim
• [Pw_forum] QHA code questions   Saurabh Bajaj
• [Pw_forum] Delta-sol method   Hrachya Kyureghian
• [Pw_forum] pw.x   Sakhrawi Taoufek
• [Pw_forum] pw.x   Bramha Pandey
• [Pw_forum] pw.x   bamidele ibrahim
• [Pw_forum] pw.x   Giuseppe Mattioli
• [Pw_forum] revPBE pseudo potentials   Violeta Iancu
• [Pw_forum] revPBE pseudo potentials   Ary Junior
• [Pw_forum] revPBE pseudo potentials   Martin Andersson
• [Pw_forum] PW91 bug in QE 4.3.2   Derek Stewart
• [Pw_forum] Can't get converged results when using ESM method   Xin Li
• [Pw_forum] revPBE pseudo potentials   Sakhrawi Taoufek
• [Pw_forum] (no subject)   Sakhrawi Taoufek
• [Pw_forum] (no subject)   bamidele ibrahim
• [Pw_forum] CrayXE6   Sam Azadi
• [Pw_forum] bands.data   Yusuf Zuntu
• [Pw_forum] bands.data   Layla Martin-Samos
• [Pw_forum] CrayXE6   Giovanni Pizzi
• [Pw_forum] CrayXE6   Filippo Spiga
• [Pw_forum] PW91 bug in QE 4.3.2   Paolo Giannozzi
• [Pw_forum] spin direction   Peng Chen
• [Pw_forum] revPBE pseudo potentials   Violeta Iancu
• [Pw_forum] spin direction   Paolo Giannozzi
• [Pw_forum] revPBE pseudo potentials   Paolo Giannozzi
• [Pw_forum] wrong result from converted abinit LDA FHI PP   James Mao
• [Pw_forum] IOTK library   Ruibin Liu
• [Pw_forum] IOTK library   Filippo Spiga
• [Pw_forum] IOTK library   Axel Kohlmeyer
• [Pw_forum] wrong result from converted abinit LDA FHI PP   Axel Kohlmeyer
• [Pw_forum] IOTK library   ferretti at mit.edu
• [Pw_forum] spin direction   Peng Chen
• [Pw_forum] spin direction   Giuseppe Mattioli
• [Pw_forum] spin direction   Giuseppe Mattioli
• [Pw_forum] specific q-point with phonon splitting   Thomas Gruber
• [Pw_forum] celldm   Sakhrawi Taoufek
• [Pw_forum] celldm   Paolo Giannozzi
• [Pw_forum] specific q-point with phonon splitting   Paolo Giannozzi
• [Pw_forum] Queries regarding fixed-spin moment phonon calculations and DFPT+U   Paolo Giannozzi
• [Pw_forum] pw.x   Stefano Baroni
• [Pw_forum] specific q-point with phonon splitting   Thomas Gruber
• [Pw_forum] NMR calculation of CDCl3   Prasenjit Ghosh
• [Pw_forum] Fwd: Error when compiling GPU version of QE   TJ Mustard
• [Pw_forum] Phonon omega or nu? Factors of 2pi   Johannes Moeller
• [Pw_forum] Error when compiling GPU version of QE   Filippo Spiga
• [Pw_forum] Error when compiling GPU version of QE   Filippo Spiga
• [Pw_forum] Fwd: Error when compiling GPU version of QE   Ivan Girotto
• [Pw_forum] 'hse' in pw run can not converges   Bramha Pandey
• [Pw_forum] Phonon omega or nu? Factors of 2pi   Saurabh Bajaj
• [Pw_forum] Error when compiling GPU version of QE   TJ Mustard
• [Pw_forum] 'hse' in pw run can not converges   Giuseppe Mattioli
• [Pw_forum] Phonon omega or nu? Factors of 2pi   Johannes Moeller
• [Pw_forum] Tr : (no subject)   Sakhrawi Taoufek
• [Pw_forum] Tr : (no subject)   Paolo Giannozzi
• [Pw_forum] Question of a system administrator about pw.x usage   Silas Silva
• [Pw_forum] 'hse' in pw run can not converges   Bramha Pandey
• [Pw_forum] Question of a system administrator about pw.x usage   Filippo Spiga
• [Pw_forum] SYMMETRY REFERENCE   Caloma Trumica
• [Pw_forum] SYMMETRY REFERENCE   Sonu Kumar
• [Pw_forum] Regarding davcio error   himanshu at iopb.res.in
• [Pw_forum] Regarding davcio error   Bramha Pandey
• [Pw_forum] NMR calculation of CDCl3   Davide Ceresoli
• [Pw_forum] NMR calculation of CDCl3   Prasenjit Ghosh
• [Pw_forum] SYMMETRY REFERENCE   Paolo Giannozzi
• [Pw_forum] Question of a system administrator about pw.x usage   Paolo Giannozzi
• [Pw_forum] SYMMETRY REFERENCE   Caloma Trumica
• [Pw_forum] info regarding r.x code   Bramha Pandey
• [Pw_forum] How to calculate the adsorption energy of ion (charged particle) on the surface of semiconductor?   Mahmoud Payami Shabestari
• [Pw_forum] Error in routine scale_h (1)   Alexey Akimov
• [Pw_forum] info regarding r.x code   Peng Chen
• [Pw_forum] info regarding r.x code   Bramha Pandey
• [Pw_forum] Error in routine scale_h (1)   Martin Andersson
• [Pw_forum] Error in routine scale_h (1)   Paolo Giannozzi
• [Pw_forum] 'hse' in pw run can not converges   Paolo Giannozzi
• [Pw_forum] Error in routine scale_h (1)   Alexey Akimov
• [Pw_forum] Error in routine scale_h (1)   Alexey Akimov
• [Pw_forum] Error in routine scale_h (1)   Stefano de Gironcoli
• [Pw_forum] Error in routine scale_h (1)   Alexey Akimov
• [Pw_forum] 'hse' in pw run can not converges   Giuseppe Mattioli
• [Pw_forum] doubts (problems?) in DOS calculation   Davide Tiana
• [Pw_forum] Error in routine scale_h (1)   Axel Kohlmeyer
• [Pw_forum] Error in routine scale_h (1)   Alexey Akimov
• [Pw_forum] QE-5.0.1   Elie M
• [Pw_forum] QE-5.0.1   bamidele ibrahim
• [Pw_forum] U of vanadium   Peng Chen
• [Pw_forum] Error in routine cdiaghg S matrix not positive definite   Jennifer Wohlwend
• [Pw_forum] U calculation with noncollinear spins   Peng Chen
• [Pw_forum] U calculation with noncollinear spins   Matteo Cococcioni
• [Pw_forum] U calculation with noncollinear spins   Peng Chen
• [Pw_forum] Error in routine cdiaghg S matrix not positive definite   Paolo Giannozzi
• [Pw_forum] Error in routine cdiaghg S matrix not positive definite   Sonu Kumar
• [Pw_forum] Error in routine cdiaghg S matrix not positive definite   Stefano de Gironcoli
• [Pw_forum] Error while parsing atomic positions   Kajal Jindal
• [Pw_forum] Error while parsing atomic positions   Stefano Baroni
• [Pw_forum] Error in routine cdiaghg S matrix not positive definite   Sonu Kumar
• [Pw_forum] Error while parsing atomic positions   Eduardo Ariel Menendez Proupin
• [Pw_forum] Error while parsing atomic positions   Axel Kohlmeyer
• [Pw_forum] Error in routine cdiaghg S matrix not positive definite   Jennifer Wohlwend
• [Pw_forum] relax issue   Yusuf Zuntu
• [Pw_forum] relax issue   Paolo Giannozzi
• [Pw_forum] ecutwfc convergence   Yusuf Zuntu
• [Pw_forum] functionals and pseudopotentials for bandgap.   Eduardo Ariel Menendez Proupin
• [Pw_forum] ecutwfc convergence   Eduardo Ariel Menendez Proupin
• [Pw_forum] ecutwfc convergence   Yusuf Zuntu
• [Pw_forum] ecutwfc convergence   Eduardo Ariel Menendez Proupin
• [Pw_forum] polarizability of metals using ph.x   anne etindele
• [Pw_forum] ecutwfc convergence   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] The cell blowing up in MD simulation   Tian Lan
• [Pw_forum] 'hse' in pw run can not converges   Bramha Pandey
• [Pw_forum] The cell blowing up in MD simulation   Paolo Giannozzi
• [Pw_forum] functionals and pseudopotentials for bandgap.   William Parker
• [Pw_forum] The cell blowing up in MD simulation   Tian Lan
• [Pw_forum] The cell blowing up in MD simulation   Paolo Giannozzi
• [Pw_forum] 1th october: mailing lists maintenance   Layla Martin-Samos
• [Pw_forum] info regarding r.x code   Bramha Pandey
• [Pw_forum] how to print trajectory and velocity pw.x   Ananya Mondal
• [Pw_forum] starting_magnetization   Sakhrawi Taoufek
• [Pw_forum] starting_magnetization   Paolo Giannozzi
• [Pw_forum] RE : starting_magnetization   BARRETEAU Cyrille
• [Pw_forum] Density electronic   Alfredo Ramirez
• [Pw_forum] Density electronic   Paolo Giannozzi
• [Pw_forum] electron phonon calculation at the Gamma point   Elie M
• [Pw_forum] Segmentation fault (core dumped) to run a script   Bramha Pandey
• [Pw_forum] Segmentation fault (core dumped) to run a script   Bramha Pandey
• [Pw_forum] polarizability of metals using ph.x   Stefano Baroni

Last message date: Sun Sep 30 21:24:35 CEST 2012
Archived on: Wed Feb 28 11:10:57 CET 2018

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