October 2012 Archives by date

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Starting: Mon Oct 1 04:56:52 CEST 2012
Ending: Wed Oct 31 14:20:10 CET 2012
Messages: 354

• [Pw_forum] A question about symmetry   Caloma Trumica
• [Pw_forum] Coordinate Shifting   Yusuf Zuntu
• [Pw_forum] plotrho manual   Giuseppe Mattioli
• [Pw_forum] plotrho manual   Paolo Giannozzi
• [Pw_forum] Coordinate Shifting   Stefano de Gironcoli
• [Pw_forum] A question about symmetry   Stefano de Gironcoli
• [Pw_forum] Coordinate Shifting   Yusuf Zuntu
• [Pw_forum] Coordinate Shifting   Stefano Baroni
• [Pw_forum] electron-phonon interaction at the Gamma point   Elie M
• [Pw_forum] polarizability of metals using ph.x   Stefano de Gironcoli
• [Pw_forum] r.x compilation error   Bramha Pandey
• [Pw_forum] r.x compilation error   Stefano de Gironcoli
• [Pw_forum] IMPORTANT: QE Open Invitation to Contribute   Stefano de Gironcoli
• [Pw_forum] r.x compilation error   Bramha Pandey
• [Pw_forum] r.x compilation error   Bramha Pandey
• [Pw_forum] How to stop vc-md with given nstep?   Riping Wang
• [Pw_forum] ele phonon coupling at the gamma point   Elie M
• [Pw_forum] ele phonon coupling at the gamma point   Paolo Giannozzi
• [Pw_forum] ele phonon coupling at the gamma point   Elie M
• [Pw_forum] How to stop vc-md with given nstep?   Paolo Giannozzi
• [Pw_forum] epw.x error: inconsistent nscf and elph k-grids   Elie M
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 6   Riping Wang
• [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen   W2AGZ
• [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen   Andrei Malashevich
• [Pw_forum] ele phonon coupling at the gamma point   Matteo Calandra
• [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure   Wei Zhou
• [Pw_forum] generalized eigen values   Padmaja Patnaik
• [Pw_forum] How to stop vc-md with given nstep?   Paolo Giannozzi
• [Pw_forum] generalized eigen values   Layla Martin-Samos
• [Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen   Paolo Giannozzi
• [Pw_forum] generalized eigen values   Paolo Giannozzi
• [Pw_forum] generalized eigen values   Stefano de Gironcoli
• [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure   Paolo Giannozzi
• [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure   Wei Zhou
• [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure   Paolo Giannozzi
• [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure   Wei Zhou
• [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure   Eduardo Ariel Menendez Proupin
• [Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure   Wei Zhou
• [Pw_forum] Crystal Structure Page Temporarily Unavailable   Michael Mehl
• [Pw_forum] Raman spectra with GGA   Prasenjit Ghosh
• [Pw_forum] symmetry   Sakhrawi Taoufek
• [Pw_forum] symmetry   Stefano de Gironcoli
• [Pw_forum] symmetry   Paolo Giannozzi
• [Pw_forum] Different optical mode frequency at the same q-vector   dfsgdv dfsdf
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Bramha Pandey
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Burak Himmetoglu
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Bramha Pandey
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Burak Himmetoglu
• [Pw_forum] The electron affinities of defect in bulk crystal   Tima Perevalov
• [Pw_forum] vc-md could be stop by nstep after a slight change in code   Riping Wang
• [Pw_forum] vc-md could be stop by nstep after a slight change in code   Paolo Giannozzi
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Bramha Pandey
• [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop   Antonio
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Stefano de Gironcoli
• [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop   Paolo Giannozzi
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Bramha Pandey
• [Pw_forum] Regarding Animations in vibrational spectrum   Kondaiah Samudrala
• [Pw_forum] Fwd: Regarding Animations in vibrational spectrum   Kondaiah Samudrala
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Stefano de Gironcoli
• [Pw_forum] Fermi level too large   Sakhrawi Taoufek
• [Pw_forum] Fermi level too large   Stefano de Gironcoli
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Bramha Pandey
• [Pw_forum] Fermi level too large   Sakhrawi Taoufek
• [Pw_forum] Fermi level too large   Paolo Giannozzi
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Stefano de Gironcoli
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Bramha Pandey
• [Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set   Stefano de Gironcoli
• [Pw_forum] K points coordinate type   Caloma Trumica
• [Pw_forum] K points coordinate type   Paolo Giannozzi
• [Pw_forum] Fwd: Regarding Animations in vibrational spectrum   Paolo Giannozzi
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   Bramha Pandey
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   Matteo Cococcioni
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   Bramha Pandey
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   Bramha Pandey
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   Burak Himmetoglu
• [Pw_forum] Ultrosfot pseudopotential generation : negative rho   Varadharajan Srinivasan
• [Pw_forum] Cell optimization converges to unrealistic value   Yura Vishnevskiy
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   Giuseppe Mattioli
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   Giuseppe Mattioli
• [Pw_forum] NEB calculation: the output files aren't updated but the process doesn't stop   Antonio
• [Pw_forum] very large value 'U' obtained for 'GaAs' by linear response method   Bramha Pandey
• [Pw_forum] about ecutwfc convergence for total energy   James Mao
• [Pw_forum] dipole correction-dipole field keep constant during optimization   Fenggong Wang
• [Pw_forum] about ecutwfc convergence for total energy   Carlo Nervi
• [Pw_forum] dipole correction-dipole field keep constant during optimization   Guido Fratesi
• [Pw_forum] probelm in projwfc name list   asa aravindh
• [Pw_forum] probelm in projwfc name list   Paolo Giannozzi
• [Pw_forum] rho mixing problem with PAW   Giuseppe Mattioli
• [Pw_forum] probelm in projwfc name list   Bramha Pandey
• [Pw_forum] dipole correction-dipole field keep constant during optimization   Fenggong Wang
• [Pw_forum] dipole correction-dipole field keep constant during optimization   Guido Fratesi
• [Pw_forum] dipole correction-dipole field keep constant during optimization   Fenggong Wang
• [Pw_forum] Negative values in density matrix.   jorge.gallardo at cab.cnea.gov.ar
• [Pw_forum] Unsubsribe   chengyu yang
• [Pw_forum] about ecutwfc convergence for total energy   James Mao
• [Pw_forum] Unsubsribe   Stefano de Gironcoli
• [Pw_forum] Negative values in density matrix.   Lorenzo Paulatto
• [Pw_forum] Negative values in density matrix.   jorge.gallardo at cab.cnea.gov.ar
• [Pw_forum] Negative values in density matrix.   Lorenzo Paulatto
• [Pw_forum] band gap of 'GaAs'   Bramha Pandey
• [Pw_forum] parallel phonon calculation on distributed memory machines   Steve Schmerler
• [Pw_forum] parallel phonon calculation on distributed memory machines   Paolo Giannozzi
• [Pw_forum] REMINDER   Paolo Giannozzi
• [Pw_forum] Minor bug in matdyn.x   Derek Stewart
• [Pw_forum] Cell optimization converges to unrealistic value   Giuseppe Mattioli
• [Pw_forum] rho mixing problem with PAW   Paolo Giannozzi
• [Pw_forum] parallel phonon calculation on distributed memory machines   Steve Schmerler
• [Pw_forum] Minor bug in matdyn.x   Paolo Giannozzi
• [Pw_forum] Different optical mode frequency at the same q-vector   Lorenzo Paulatto
• [Pw_forum] Minor bug in matdyn.x   Derek Stewart
• [Pw_forum] warning message about matdyn.x   Chengyang Li
• [Pw_forum] warning message about matdyn.x   Paolo Giannozzi
• [Pw_forum] warning message about matdyn.x   Chengyang Li
• [Pw_forum] rho mixing problem with PAW   Stefano de Gironcoli
• [Pw_forum] question about DOS-projection   Jin Chang
• [Pw_forum] kpoints path   somayeh fotohi
• [Pw_forum] warning message about matdyn.x   Stefano de Gironcoli
• [Pw_forum] warning message about matdyn.x   Paolo Giannozzi
• [Pw_forum] question about DOS-projection   Guido Fratesi
• [Pw_forum] magnetic moment   Sakhrawi Taoufek
• [Pw_forum] RE : magnetic moment   BARRETEAU Cyrille
• [Pw_forum] magnetic moment   Guido Fratesi
• [Pw_forum] wrong results from parallel running of ph.x   Jia Zhang
• [Pw_forum] magnetic moment   Sakhrawi Taoufek
• [Pw_forum] Different optical mode frequency at the same q-vector   Stefano Baroni
• [Pw_forum] magnetic moment   Guido Fratesi
• [Pw_forum] RE : magnetic moment   BARRETEAU Cyrille
• [Pw_forum] error : US j-average not yet implemented   Bramha Pandey
• [Pw_forum] error : US j-average not yet implemented   Andrea Dal Corso
• [Pw_forum] warning message about matdyn.x   Chengyang Li
• [Pw_forum] warning message about matdyn.x   Paolo Giannozzi
• [Pw_forum] question about DOS-projection   Jin Chang
• [Pw_forum] Different optical mode frequency at the same q-vector   Kyeong-hyun Park
• [Pw_forum] vc-md only reach half of target temperature   Riping Wang
• [Pw_forum] vc-md only reach half of target temperature   Ranber Thakur
• [Pw_forum] question about DOS-projection   Guido Fratesi
• [Pw_forum] Some questions about vibrational modes   Torstein Fjermestad
• [Pw_forum] Test wdw1 failed   Alexandr Rzhechitskii
• [Pw_forum] Test wdw1 failed   Paolo Giannozzi
• [Pw_forum] wrong results from parallel running of ph.x   Paolo Giannozzi
• [Pw_forum] kpoints path   Paolo Giannozzi
• [Pw_forum] USPP fully relativistic   Suza W
• [Pw_forum] Cell optimization converges to unrealistic value   Yury Vishnevskiy
• [Pw_forum] Cell optimization converges to unrealistic value   Yury Vishnevskiy
• [Pw_forum] Test wdw1 failed   Alexandr Rzhechitskii
• [Pw_forum] Cell optimization converges to unrealistic value   Giuseppe Mattioli
• [Pw_forum] Error: At line 230 of file bands_FS.f90 (unit = 5, file = 'stdin')   Bramha Pandey
• [Pw_forum] error : US j-average not yet implemented   Bramha Pandey
• [Pw_forum] assignment of spin label to electronic band   koushik pal
• [Pw_forum] assignment of spin label to electronic band   Paolo Giannozzi
• [Pw_forum] assignment of spin label to electronic band   bamidele ibrahim
• [Pw_forum] parallel phonon calculation on distributed memory machines   Paolo Giannozzi
• [Pw_forum] Test wdw1 failed   Paolo Giannozzi
• [Pw_forum] parallel phonon calculation on distributed memory machines   Steve Schmerler
• [Pw_forum] Total DOS and PDOS   Cao TF
• [Pw_forum] Meatl USPP and light impurity atom   Darío Fdez-Pello Lois
• [Pw_forum] Total DOS and PDOS   Guido Fratesi
• [Pw_forum] Different optical mode frequency at the same q-vector   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 34   funmi ayedun
• [Pw_forum] About restarting ph.x calculation   James Mao
• [Pw_forum] (no subject)   somayeh fotohi
• [Pw_forum] Total DOS and PDOS   Cao TF
• [Pw_forum] How to get optimized celldm parameters?   Stefano de Gironcoli
• [Pw_forum] plot of band structure   somayeh fotohi
• [Pw_forum] Raman spectra   Prasenjit Ghosh
• [Pw_forum] How to get optimized celldm parameters?   Alexey Akimov
• [Pw_forum] How to get optimized celldm parameters?   Alexey Akimov
• [Pw_forum] How to get optimized celldm parameters?   Yura Vishnevskiy
• [Pw_forum] How to get optimized celldm parameters?   Yura Vishnevskiy
• [Pw_forum] (no subject)   Amir hosseini
• [Pw_forum] Raman spectra   Eduardo Ariel Menendez Proupin
• [Pw_forum] Relaxing adatom at z-axis   Yusuf Zuntu
• [Pw_forum] Some questions about vibrational modes   Stefano Baroni
• [Pw_forum] Different optical mode frequency at the same q-vector   Kyeong-hyun Park
• [Pw_forum] (no subject)   Stefano Baroni
• [Pw_forum] Fermi energy   Sakhrawi Taoufek
• [Pw_forum] (no subject)   Gabriele Sclauzero
• [Pw_forum] plot of band structure   Gabriele Sclauzero
• [Pw_forum] Different optical mode frequency at the same q-vector   Lorenzo Paulatto
• [Pw_forum] Fermi energy   Guido Fratesi
• [Pw_forum] Total DOS and PDOS   Guido Fratesi
• [Pw_forum] Different optical mode frequency at the same q-vector   Lorenzo Paulatto
• [Pw_forum] Meatl USPP and light impurity atom   Darío Fdez-Pello Lois
• [Pw_forum] URGENT   Surabala Mishra
• [Pw_forum] urgent   Surabala Mishra
• [Pw_forum] urgent   Giuseppe Mattioli
• [Pw_forum] urgent   Guido Fratesi
• [Pw_forum] urgent   Sonu Kumar
• [Pw_forum] warning message about matdyn.x   Chengyang Li
• [Pw_forum] charge density units?   Gisela Bocan
• [Pw_forum] Fwd: SCF with PBE0 missing files   Anthony Ruth
• [Pw_forum] Meatl USPP and light impurity atom   Darío Fdez-Pello Lois
• [Pw_forum] Different optical mode frequency at the same q-vector   Kyeong-hyun Park
• [Pw_forum] charge density units?   Paolo Giannozzi
• [Pw_forum] Different optical mode frequency at the same q-vector   Lorenzo Paulatto
• [Pw_forum] Meatl USPP and light impurity atom   Paolo Giannozzi
• [Pw_forum] Fwd: SCF with PBE0 missing files   Giuseppe Mattioli
• [Pw_forum] charge density units?   Gisela Bocan
• [Pw_forum] About restarting ph.x calculation   William Parker
• [Pw_forum] pseudopotential   Mohua Bhattacharya
• [Pw_forum] pseudopotential   Paolo Giannozzi
• [Pw_forum] pseudopotential   Stefano Baroni
• [Pw_forum] example problems   David Strubbe
• [Pw_forum] Rotation matrix   Caloma Trumica
• [Pw_forum] ph.x high I/O frequency   Jiseok Kim
• [Pw_forum] example problems   Andrea Dal Corso
• [Pw_forum] example problems   Paolo Giannozzi
• [Pw_forum] Rotation matrix   Stefano de Gironcoli
• [Pw_forum] ph.x high I/O frequency   Paolo Giannozzi
• [Pw_forum] Meatl USPP and light impurity atom   Darío Fdez-Pello Lois
• [Pw_forum] very strange compilation error on a bluegene machine   Giuseppe Mattioli
• [Pw_forum] very strange compilation error on a bluegene machine   Axel Kohlmeyer
• [Pw_forum] very strange compilation error on a bluegene machine   Giuseppe Mattioli
• [Pw_forum] pseudopotential   Mohua Bhattacharya
• [Pw_forum] work-function   Saeedeh S Ravandi
• [Pw_forum] Error: At line 230 of file bands_FS.f90 (unit = 5, file = 'stdin')   Paolo Giannozzi
• [Pw_forum] IFCs and Difference between unit cell and supercell   Jingjie Zhang
• [Pw_forum] Calculating Work function of a nanoribbon   Peeyush Agarwal
• [Pw_forum] Phonons in antiferromagnatic materials   karan deep
• [Pw_forum] The jobs always cut after couple iterations   Ihsan Erikat
• [Pw_forum] The jobs always cut after couple iterations   Lorenzo Paulatto
• [Pw_forum] SCF converges to different total magnetization values.   Yury Vishnevskiy
• [Pw_forum] IFCs and Difference between unit cell and supercell   Paolo Giannozzi
• [Pw_forum] SCF converges to different total magnetization values.   Paolo Giannozzi
• [Pw_forum] Some questions about vibrational modes   Torstein Fjermestad
• [Pw_forum] Problem running calculations in version 5.0.1   N H Joshi
• [Pw_forum] Problem running calculations in version 5.0.1   Sonu Kumar
• [Pw_forum] Problem running calculations in version 5.0.1   N H Joshi
• [Pw_forum] IFCs and Difference between unit cell and supercell   karan deep
• [Pw_forum] IFCs and Difference between unit cell and supercell   Lorenzo Paulatto
• [Pw_forum] IFCs and Difference between unit cell and supercell   Paolo Giannozzi
• [Pw_forum] SCF converges to different total magnetization values.   Yura Vishnevskiy
• [Pw_forum] Problem running calculations in version 5.0.1   Bramha Pandey
• [Pw_forum] IFCs and Difference between unit cell and supercell   karan deep
• [Pw_forum] IFCs and Difference between unit cell and supercell   Stefano Baroni
• [Pw_forum] IFCs and Difference between unit cell and supercell   Jingjie Zhang
• [Pw_forum] Problem running calculations in version 5.0.1   Stefano de Gironcoli
• [Pw_forum] SCF convergence test - iteration   Ker Park
• [Pw_forum] Problem running calculation in version 5.0.1   N H Joshi
• [Pw_forum] Problem running calculation in version 5.0.1   Bramha Pandey
• [Pw_forum] Hybrid functionals& Wannierisation   Jianpeng Liu
• [Pw_forum] Hybrid functionals& Wannierisation   Dmitry Korotin
• [Pw_forum] Hybrid functionals& Wannierisation   Jianpeng Liu
• [Pw_forum] SCF convergence test - iteration   Layla Martin-Samos
• [Pw_forum] Problem running calculation in version 5.0.1   Paolo Giannozzi
• [Pw_forum] band structure in noncollinear calculation   Peng Chen
• [Pw_forum] xspectra - forrtl: severe (43): file name specification error, unit 14   demch at ifpan.edu.pl
• [Pw_forum] Can QE do XANES calculations using hybrid functionals   Feng Tian
• [Pw_forum] Can QE do XANES calculations using hybrid functionals   Feng Tian
• [Pw_forum] Projected DOS in noncollinear calculation   Peng Chen
• [Pw_forum] Question   Pablo García Risueño
• [Pw_forum] Question   Layla Martin-Samos
• [Pw_forum] xspectra - forrtl: severe (43): file name specification error, unit 14   Paolo Giannozzi
• [Pw_forum] Can QE do XANES calculations using hybrid functionals   Giuseppe Mattioli
• [Pw_forum] Landauer approach   Amir hosseini
• [Pw_forum] Hybrid functional & frl PP   Jianpeng Liu
• [Pw_forum] Question   Pablo García Risueño
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 56   N H Joshi
• [Pw_forum] Question   Layla Martin-Samos
• [Pw_forum] Question   Pablo García Risueño
• [Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure   Tram Bui
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 57   Feng Tian
• [Pw_forum] xspectra - forrtl: severe (43)   Matteo Calandra
• [Pw_forum] XSpectre hybrid functional   Matteo Calandra
• [Pw_forum] SCF convergence test - iteration   Stefano Baroni
• [Pw_forum] band structure in noncollinear calculation   Stefano Baroni
• [Pw_forum] Projected DOS in noncollinear calculation   Stefano Baroni
• [Pw_forum] Landauer approach   Stefano Baroni
• [Pw_forum] Question   Stefano Baroni
• [Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure   Stefano Baroni
• [Pw_forum] Landauer approach   Nicola Marzari
• [Pw_forum] Pw_forum Digest, Vol 64, Issue 59   Amir hosseini
• [Pw_forum] XSpectra hybrid functional   Giuseppe Mattioli
• [Pw_forum] Problem running NEB   Giovanni La Penna
• [Pw_forum] Problem running NEB   Paolo Giannozzi
• [Pw_forum] Problem running NEB   Giovanni La Penna
• [Pw_forum] XSpectra hybrid functional   Matteo Calandra
• [Pw_forum] XSpectra hybrid functional   Giuseppe Mattioli
• [Pw_forum] New espresso-5.0.1-GPU (build2) available for download   Filippo Spiga
• [Pw_forum] band structure in noncollinear calculation   Peng Chen
• [Pw_forum] CIF to PWSCF   Ben Palmer
• [Pw_forum] calculate equation of state in Quantum Espresso   David Furman
• [Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure   Tram Bui
• [Pw_forum] average.x   pari shok
• [Pw_forum] Questions about the DFPT review paper   Caloma Trumica
• [Pw_forum] Pseudopotentials for Praseodymium   W2AGZ
• [Pw_forum] Pseudopotentials for Praseodymium   Paolo Giannozzi
• [Pw_forum] CIF to PWSCF   Paolo Giannozzi
• [Pw_forum] calculate equation of state in Quantum Espresso   Layla Martin-Samos
• [Pw_forum] HYBRID XC not allowed in non-scf calculations   Eduardo Ariel Menendez Proupin
• [Pw_forum] HYBRID XC not allowed in non-scf calculations   Layla Martin-Samos
• [Pw_forum] CIF to PWSCF   Yue-Wen Fang
• [Pw_forum] HYBRID XC not allowed in non-scf calculations   Simon Binnie
• [Pw_forum] HYBRID XC not allowed in non-scf calculations   Layla Martin-Samos
• [Pw_forum] Phonon DOS per polarization   Bo Qiu
• [Pw_forum] CIF to PWSCF   Carlo Nervi
• [Pw_forum] cpmd2upf sodium pseudopotentials   Ananya Mondal
• [Pw_forum] cartesian (angstrom) to alat units   David Furman
• [Pw_forum] cartesian (angstrom) to alat units   Bodiford, Nelli K
• [Pw_forum] cartesian (angstrom) to alat units   Gisela Bocan
• [Pw_forum] cartesian (angstrom) to alat units   Ari P Seitsonen
• [Pw_forum] cpmd2upf sodium pseudopotentials   Paolo Giannozzi
• [Pw_forum] Phonon DOS per polarization   Lorenzo Paulatto
• [Pw_forum] Questions about the DFPT review paper   Caloma Trumica
• [Pw_forum] Phonon DOS per polarization   Bo Qiu
• [Pw_forum] CIF to PWSCF   mousumi uk
• [Pw_forum] Questions about the DFPT review paper   Lorenzo Paulatto
• [Pw_forum] two conventions in postprocessing pp.x   Cristian Degli Esposti Boschi
• [Pw_forum] two conventions in postprocessing pp.x   Paolo Giannozzi
• [Pw_forum] Phonon DOS per polarization   Lorenzo Paulatto
• [Pw_forum] EPW package used with QE   Elie M
• [Pw_forum] EPW package used with QE   Marci
• [Pw_forum] EPW package used with QE   Layla Martin-Samos
• [Pw_forum] IMPORTANT: QE Open Invitation to Contribute   Kucukbenli Emine
• [Pw_forum] EPW package used with QE   Elie M
• [Pw_forum] CIF to PWSCF   Eduardo Ariel Menendez Proupin
• [Pw_forum] phonon branch sorting   Derek Stewart
• [Pw_forum] Bamidele Ibrahim Adetunji wants to share new pictures with you   Bamidele Ibrahim Adetunji
• [Pw_forum] (no subject)   Paresh Chandra Rout
• [Pw_forum] (no subject)   Bramha Pandey
• [Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure   Stefano Baroni
• [Pw_forum] Questions about the DFPT review paper   Stefano Baroni
• [Pw_forum] Questions about the DFPT review paper   Stefano Baroni
• [Pw_forum] CIF to PWSCF   Martin
• [Pw_forum] K_POINTS and Monkhorst-pack grids (nq1,nq2,nq3)   Ker Park
• [Pw_forum] K_POINTS and Monkhorst-pack grids (nq1,nq2,nq3)   Paolo Giannozzi
• [Pw_forum] Error to run cppp.x for post processing of cp run   Bramha Pandey
• [Pw_forum] Error to run cppp.x for post processing of cp run   Paolo Giannozzi
• [Pw_forum] Error to run cppp.x for post processing of cp run   Bramha Pandey
• [Pw_forum] Transmission   Amir hosseini
• [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run   Bramha Pandey
• [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run   Filippo Spiga
• [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run   Bramha Pandey
• [Pw_forum] PBE-US-pseudopotential   Paresh Chandra Rout
• [Pw_forum] PBE-US-pseudopotential   Prasenjit Ghosh
• [Pw_forum] Transmission   Gabriele Sclauzero
• [Pw_forum] PBE-US-pseudopotential   Stefano de Gironcoli
• [Pw_forum] PBE-US-pseudopotential   Layla Martin-Samos
• [Pw_forum] HYBRID XC not allowed in non-scf calculations   Eduardo Ariel Menendez Proupin
• [Pw_forum] HYBRID XC not allowed in non-scf calculations   Layla Martin-Samos
• [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run   Bramha Pandey
• [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run   Paolo Giannozzi
• [Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run   Bramha Pandey
• [Pw_forum] qe-forge server down 6th november   Layla Martin-Samos
• [Pw_forum] (no subject)   Antonio
• [Pw_forum] Frozen atomic coordinates on phonon calculations: references   Antonio
• [Pw_forum] Primitive unitcell   David Furman
• [Pw_forum] Primitive unitcell   Stefano de Gironcoli
• [Pw_forum] Primitive unitcell   Sonu Kumar
• [Pw_forum] phonon: definition of dynamical matrix and the printed out omega in phonon   MMS
• [Pw_forum] Frozen atomic coordinates on phonon calculations:references   Davide Tiana
• [Pw_forum] Energy keeps going down   david furman
• [Pw_forum] Energy keeps going down   Bramha Pandey

Last message date: Wed Oct 31 14:20:10 CET 2012
Archived on: Wed Feb 28 11:10:57 CET 2018

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