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• 2012/10/09 [Pw_forum] probelm in projwfc name list asa aravindh
• 2012/10/09 [Pw_forum] dipole correction-dipole field keep constant during optimization Guido Fratesi
• 2012/10/09 [Pw_forum] about ecutwfc convergence for total energy Carlo Nervi
• 2012/10/08 [Pw_forum] dipole correction-dipole field keep constant during optimization Fenggong Wang
• 2012/10/08 [Pw_forum] about ecutwfc convergence for total energy James Mao
• 2012/10/08 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Bramha Pandey
• 2012/10/08 [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop Antonio
• 2012/10/08 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Giuseppe Mattioli
• 2012/10/08 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method [email protected]
• 2012/10/08 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Giuseppe Mattioli
• 2012/10/08 [Pw_forum] Cell optimization converges to unrealistic value Yura Vishnevskiy
• 2012/10/08 [Pw_forum] Ultrosfot pseudopotential generation : negative rho Varadharajan Srinivasan
• 2012/10/07 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Burak Himmetoglu
• 2012/10/07 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Bramha Pandey
• 2012/10/07 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Bramha Pandey
• 2012/10/07 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Matteo Cococcioni
• 2012/10/07 [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method Bramha Pandey
• 2012/10/07 [Pw_forum] Fwd: Regarding Animations in vibrational spectrum Paolo Giannozzi
• 2012/10/07 [Pw_forum] K points coordinate type Paolo Giannozzi
• 2012/10/06 [Pw_forum] K points coordinate type Caloma Trumica
• 2012/10/06 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Stefano de Gironcoli
• 2012/10/06 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
• 2012/10/06 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Stefano de Gironcoli
• 2012/10/06 [Pw_forum] Fermi level too large Paolo Giannozzi
• 2012/10/06 [Pw_forum] Fermi level too large Sakhrawi Taoufek
• 2012/10/06 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
• 2012/10/06 [Pw_forum] Fermi level too large Stefano de Gironcoli
• 2012/10/06 [Pw_forum] Fermi level too large Sakhrawi Taoufek
• 2012/10/06 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Stefano de Gironcoli
• 2012/10/06 [Pw_forum] Fwd: Regarding Animations in vibrational spectrum Kondaiah Samudrala
• 2012/10/06 [Pw_forum] Regarding Animations in vibrational spectrum Kondaiah Samudrala
• 2012/10/05 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
• 2012/10/05 [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop Paolo Giannozzi
• 2012/10/05 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Stefano de Gironcoli
• 2012/10/05 [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop Antonio
• 2012/10/05 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
• 2012/10/05 [Pw_forum] vc-md could be stop by nstep after a slight change in code Paolo Giannozzi
• 2012/10/04 [Pw_forum] vc-md could be stop by nstep after a slight change in code Riping Wang
• 2012/10/04 [Pw_forum] The electron affinities of defect in bulk crystal Tima Perevalov
• 2012/10/04 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Burak Himmetoglu
• 2012/10/04 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
• 2012/10/04 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Burak Himmetoglu
• 2012/10/04 [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set Bramha Pandey
• 2012/10/04 [Pw_forum] Different optical mode frequency at the same q-vector dfsgdv dfsdf
• 2012/10/04 [Pw_forum] symmetry Paolo Giannozzi
• 2012/10/04 [Pw_forum] symmetry Stefano de Gironcoli
• 2012/10/04 [Pw_forum] symmetry Sakhrawi Taoufek
• 2012/10/04 [Pw_forum] Raman spectra with GGA Prasenjit Ghosh
• 2012/10/03 [Pw_forum] Crystal Structure Page Temporarily Unavailable Michael Mehl
• 2012/10/03 [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Wei Zhou
• 2012/10/03 [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Eduardo Ariel Menendez Proupin
• 2012/10/03 [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Wei Zhou
• 2012/10/03 [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Paolo Giannozzi
• 2012/10/03 [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Wei Zhou
• 2012/10/03 [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Paolo Giannozzi
• 2012/10/03 [Pw_forum] generalized eigen values Stefano de Gironcoli
• 2012/10/03 [Pw_forum] generalized eigen values Paolo Giannozzi
• 2012/10/03 [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen Paolo Giannozzi
• 2012/10/03 [Pw_forum] generalized eigen values Layla Martin-Samos
• 2012/10/03 [Pw_forum] How to stop vc-md with given nstep? Paolo Giannozzi
• 2012/10/03 [Pw_forum] generalized eigen values Padmaja Patnaik
• 2012/10/03 [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure Wei Zhou
• 2012/10/03 [Pw_forum] ele phonon coupling at the gamma point Matteo Calandra
• 2012/10/02 [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen Andrei Malashevich
• 2012/10/02 [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen W2AGZ
• 2012/10/02 [Pw_forum] Pw_forum Digest, Vol 64, Issue 6 Riping Wang
• 2012/10/02 [Pw_forum] epw.x error: inconsistent nscf and elph k-grids Elie M
• 2012/10/02 [Pw_forum] How to stop vc-md with given nstep? Paolo Giannozzi
• 2012/10/02 [Pw_forum] ele phonon coupling at the gamma point Elie M
• 2012/10/02 [Pw_forum] ele phonon coupling at the gamma point Paolo Giannozzi
• 2012/10/02 [Pw_forum] ele phonon coupling at the gamma point Elie M
• 2012/10/02 [Pw_forum] How to stop vc-md with given nstep? Riping Wang
• 2012/10/02 [Pw_forum] r.x compilation error Bramha Pandey
• 2012/10/02 [Pw_forum] r.x compilation error Bramha Pandey
• 2012/10/01 [Pw_forum] IMPORTANT: QE Open Invitation to Contribute Stefano de Gironcoli
• 2012/10/01 [Pw_forum] r.x compilation error Stefano de Gironcoli
• 2012/10/01 [Pw_forum] r.x compilation error Bramha Pandey
• 2012/10/01 [Pw_forum] polarizability of metals using ph.x Stefano de Gironcoli
• 2012/10/01 [Pw_forum] electron-phonon interaction at the Gamma point Elie M
• 2012/10/01 [Pw_forum] Coordinate Shifting Stefano Baroni
• 2012/10/01 [Pw_forum] Coordinate Shifting Yusuf Zuntu
• 2012/10/01 [Pw_forum] A question about symmetry Stefano de Gironcoli
• 2012/10/01 [Pw_forum] Coordinate Shifting Stefano de Gironcoli
• 2012/10/01 [Pw_forum] plotrho manual Paolo Giannozzi
• 2012/10/01 [Pw_forum] plotrho manual Giuseppe Mattioli
• 2012/10/01 [Pw_forum] Coordinate Shifting Yusuf Zuntu
• 2012/09/30 [Pw_forum] A question about symmetry Caloma Trumica
• 2012/09/30 [Pw_forum] polarizability of metals using ph.x Stefano Baroni
• 2012/09/30 [Pw_forum] Segmentation fault (core dumped) to run a script Bramha Pandey
• 2012/09/29 [Pw_forum] Segmentation fault (core dumped) to run a script Bramha Pandey
• 2012/09/29 [Pw_forum] electron phonon calculation at the Gamma point Elie M
• 2012/09/29 [Pw_forum] Density electronic Paolo Giannozzi
• 2012/09/28 [Pw_forum] Density electronic Alfredo Ramirez
• 2012/09/28 [Pw_forum] RE : starting_magnetization BARRETEAU Cyrille
• 2012/09/28 [Pw_forum] starting_magnetization Paolo Giannozzi
• 2012/09/28 [Pw_forum] starting_magnetization Sakhrawi Taoufek
• 2012/09/28 [Pw_forum] how to print trajectory and velocity pw.x Ananya Mondal
• 2012/09/28 [Pw_forum] info regarding r.x code Bramha Pandey
• 2012/09/27 [Pw_forum] 1th october: mailing lists maintenance Layla Martin-Samos
• 2012/09/26 [Pw_forum] The cell blowing up in MD simulation Paolo Giannozzi
• 2012/09/26 [Pw_forum] The cell blowing up in MD simulation Tian Lan
• 2012/09/26 [Pw_forum] functionals and pseudopotentials for bandgap. William Parker
• 2012/09/26 [Pw_forum] The cell blowing up in MD simulation Paolo Giannozzi
• 2012/09/26 [Pw_forum] 'hse' in pw run can not converges Bramha Pandey
• 2012/09/26 [Pw_forum] The cell blowing up in MD simulation Tian Lan
• 2012/09/26 [Pw_forum] ecutwfc convergence Filipe Camargo Dalmatti Alves Lima
• 2012/09/26 [Pw_forum] polarizability of metals using ph.x anne etindele
• 2012/09/26 [Pw_forum] ecutwfc convergence Eduardo Ariel Menendez Proupin
• 2012/09/26 [Pw_forum] ecutwfc convergence Yusuf Zuntu
• 2012/09/26 [Pw_forum] ecutwfc convergence Eduardo Ariel Menendez Proupin
• 2012/09/26 [Pw_forum] functionals and pseudopotentials for bandgap. Eduardo Ariel Menendez Proupin
• 2012/09/26 [Pw_forum] ecutwfc convergence Yusuf Zuntu
• 2012/09/26 [Pw_forum] relax issue Paolo Giannozzi
• 2012/09/26 [Pw_forum] relax issue Yusuf Zuntu
• 2012/09/25 [Pw_forum] Error in routine cdiaghg S matrix not positive definite Jennifer Wohlwend
• 2012/09/25 [Pw_forum] Error while parsing atomic positions Axel Kohlmeyer
• 2012/09/25 [Pw_forum] Error while parsing atomic positions Eduardo Ariel Menendez Proupin
• 2012/09/25 [Pw_forum] Error in routine cdiaghg S matrix not positive definite Sonu Kumar
• 2012/09/25 [Pw_forum] Error while parsing atomic positions Stefano Baroni
• 2012/09/25 [Pw_forum] Error while parsing atomic positions Kajal Jindal
• 2012/09/25 [Pw_forum] Error in routine cdiaghg S matrix not positive definite Stefano de Gironcoli
• 2012/09/25 [Pw_forum] Error in routine cdiaghg S matrix not positive definite Sonu Kumar
• 2012/09/24 [Pw_forum] Error in routine cdiaghg S matrix not positive definite Paolo Giannozzi
• 2012/09/24 [Pw_forum] U calculation with noncollinear spins Peng Chen
• 2012/09/24 [Pw_forum] U calculation with noncollinear spins Matteo Cococcioni
• 2012/09/24 [Pw_forum] U calculation with noncollinear spins Peng Chen
• 2012/09/24 [Pw_forum] Error in routine cdiaghg S matrix not positive definite Jennifer Wohlwend
• 2012/09/24 [Pw_forum] U of vanadium Peng Chen
• 2012/09/24 [Pw_forum] QE-5.0.1 bamidele ibrahim
• 2012/09/24 [Pw_forum] QE-5.0.1 Elie M
• 2012/09/24 [Pw_forum] Error in routine scale_h (1) Alexey Akimov
• 2012/09/24 [Pw_forum] Error in routine scale_h (1) Axel Kohlmeyer
• 2012/09/24 [Pw_forum] doubts (problems?) in DOS calculation Davide Tiana
• 2012/09/24 [Pw_forum] 'hse' in pw run can not converges Giuseppe Mattioli
• 2012/09/23 [Pw_forum] Error in routine scale_h (1) Alexey Akimov
• 2012/09/23 [Pw_forum] Error in routine scale_h (1) Stefano de Gironcoli
• 2012/09/23 [Pw_forum] Error in routine scale_h (1) Alexey Akimov
• 2012/09/23 [Pw_forum] Error in routine scale_h (1) Alexey Akimov
• 2012/09/23 [Pw_forum] 'hse' in pw run can not converges Paolo Giannozzi
• 2012/09/23 [Pw_forum] Error in routine scale_h (1) Paolo Giannozzi
• 2012/09/23 [Pw_forum] Error in routine scale_h (1) Martin Andersson
• 2012/09/23 [Pw_forum] info regarding r.x code Bramha Pandey
• 2012/09/23 [Pw_forum] info regarding r.x code Peng Chen
• 2012/09/23 [Pw_forum] Error in routine scale_h (1) Alexey Akimov
• 2012/09/23 [Pw_forum] How to calculate the adsorption energy of ion (charged particle) on the surface of semiconductor? Mahmoud Payami Shabestari
• 2012/09/22 [Pw_forum] info regarding r.x code Bramha Pandey
• 2012/09/22 [Pw_forum] SYMMETRY REFERENCE Caloma Trumica
• 2012/09/22 [Pw_forum] Question of a system administrator about pw.x usage Paolo Giannozzi
• 2012/09/22 [Pw_forum] SYMMETRY REFERENCE Paolo Giannozzi
• 2012/09/22 [Pw_forum] NMR calculation of CDCl3 Prasenjit Ghosh
• 2012/09/22 [Pw_forum] NMR calculation of CDCl3 Davide Ceresoli
• 2012/09/21 [Pw_forum] Regarding davcio error Bramha Pandey
• 2012/09/21 [Pw_forum] Regarding davcio error [email protected]
• 2012/09/21 [Pw_forum] SYMMETRY REFERENCE Sonu Kumar
• 2012/09/21 [Pw_forum] SYMMETRY REFERENCE Caloma Trumica
• 2012/09/21 [Pw_forum] Question of a system administrator about pw.x usage Filippo Spiga
• 2012/09/21 [Pw_forum] 'hse' in pw run can not converges Bramha Pandey
• 2012/09/21 [Pw_forum] Question of a system administrator about pw.x usage Silas Silva
• 2012/09/21 [Pw_forum] Tr : (no subject) Paolo Giannozzi
• 2012/09/21 [Pw_forum] Tr : (no subject) Sakhrawi Taoufek
• 2012/09/21 [Pw_forum] Phonon omega or nu? Factors of 2pi Johannes Moeller
• 2012/09/21 [Pw_forum] 'hse' in pw run can not converges Giuseppe Mattioli
• 2012/09/21 [Pw_forum] Error when compiling GPU version of QE TJ Mustard
• 2012/09/21 [Pw_forum] Phonon omega or nu? Factors of 2pi Saurabh Bajaj
• 2012/09/21 [Pw_forum] 'hse' in pw run can not converges Bramha Pandey
• 2012/09/21 [Pw_forum] Fwd: Error when compiling GPU version of QE Ivan Girotto
• 2012/09/21 [Pw_forum] Error when compiling GPU version of QE Filippo Spiga
• 2012/09/21 [Pw_forum] Error when compiling GPU version of QE Filippo Spiga
• 2012/09/21 [Pw_forum] Phonon omega or nu? Factors of 2pi Johannes Moeller
• 2012/09/21 [Pw_forum] Fwd: Error when compiling GPU version of QE TJ Mustard
• 2012/09/21 [Pw_forum] NMR calculation of CDCl3 Prasenjit Ghosh
• 2012/09/21 [Pw_forum] specific q-point with phonon splitting Thomas Gruber
• 2012/09/21 [Pw_forum] pw.x Stefano Baroni
• 2012/09/21 [Pw_forum] Queries regarding fixed-spin moment phonon calculations and DFPT+U Paolo Giannozzi
• 2012/09/21 [Pw_forum] specific q-point with phonon splitting Paolo Giannozzi
• 2012/09/21 [Pw_forum] celldm Paolo Giannozzi
• 2012/09/21 [Pw_forum] celldm Sakhrawi Taoufek
• 2012/09/21 [Pw_forum] specific q-point with phonon splitting Thomas Gruber
• 2012/09/21 [Pw_forum] spin direction Giuseppe Mattioli
• 2012/09/21 [Pw_forum] spin direction Giuseppe Mattioli
• 2012/09/20 [Pw_forum] spin direction Peng Chen
• 2012/09/20 [Pw_forum] IOTK library [email protected]
• 2012/09/20 [Pw_forum] wrong result from converted abinit LDA FHI PP Axel Kohlmeyer
• 2012/09/20 [Pw_forum] IOTK library Axel Kohlmeyer
• 2012/09/20 [Pw_forum] IOTK library Filippo Spiga
• 2012/09/20 [Pw_forum] IOTK library Ruibin Liu
• 2012/09/20 [Pw_forum] wrong result from converted abinit LDA FHI PP James Mao
• 2012/09/20 [Pw_forum] revPBE pseudo potentials Paolo Giannozzi
• 2012/09/20 [Pw_forum] spin direction Paolo Giannozzi
• 2012/09/20 [Pw_forum] revPBE pseudo potentials Violeta Iancu
• 2012/09/20 [Pw_forum] spin direction Peng Chen
• 2012/09/20 [Pw_forum] PW91 bug in QE 4.3.2 Paolo Giannozzi
• 2012/09/20 [Pw_forum] CrayXE6 Filippo Spiga
• 2012/09/20 [Pw_forum] CrayXE6 Giovanni Pizzi
• 2012/09/20 [Pw_forum] bands.data Layla Martin-Samos
• 2012/09/20 [Pw_forum] bands.data Yusuf Zuntu
• 2012/09/20 [Pw_forum] CrayXE6 Sam Azadi
• 2012/09/20 [Pw_forum] (no subject) bamidele ibrahim
• 2012/09/20 [Pw_forum] (no subject) Sakhrawi Taoufek
• 2012/09/20 [Pw_forum] revPBE pseudo potentials Sakhrawi Taoufek

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