November 2010 Archives by author

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Starting: Mon Nov 1 04:01:46 CET 2010
Ending: Tue Nov 30 13:56:09 CET 2010
Messages: 295

• [Pw_forum] xml_recover problem with phonon (ph.x) restart job   Omololu Akin-Ojo
• [Pw_forum] xml_recover problem with phonon (ph.x) restart job   Omololu Akin-Ojo
• [Pw_forum] MPI_Bcast error from cp.x   Omololu Akin-Ojo
• [Pw_forum] MPI_Bcast error from cp.x   Omololu Akin-Ojo
• [Pw_forum] MPI_Bcast error from cp.x   Omololu Akin-Ojo
• [Pw_forum] MPI_Bcast error from cp.x   Omololu Akin-Ojo
• [Pw_forum] changing vdW radii for dispersion correction   Martin Andersson
• [Pw_forum] Help!   Aurab
• [Pw_forum] Plot given atomic orbital   Julen Ibanez Azpiroz
• [Pw_forum] Plot given atomic orbital   Julen Ibanez Azpiroz
• [Pw_forum] distributed computing   Stefano Baroni
• [Pw_forum] distributed computing   Stefano Baroni
• [Pw_forum] Constrained occupation   Stefano Baroni
• [Pw_forum] tddfpt.x manual   Stefano Baroni
• [Pw_forum] wannier function   Stefano Baroni
• [Pw_forum] Help!   Stefano Baroni
• [Pw_forum] GDIS   Jan Felix Binder
• [Pw_forum] wannier function   Jan Felix Binder
• [Pw_forum] Help XSPectra calculation   Matteo Calandra
• [Pw_forum] cohesive energy calculation of Zn   Matteo Cococcioni
• [Pw_forum] Possible bugs in the electron-phonon calculation   Andrea Dal Corso
• [Pw_forum] distributed computing   Suman Dhayal
• [Pw_forum] distributed computing   Suman Dhayal
• [Pw_forum] X-ray emission spectra!   Suman Dhayal
• [Pw_forum] XSPectra calculations!   Suman Dhayal
• [Pw_forum] XSPectra calculations!   Suman Dhayal
• [Pw_forum] Help!   Suman Dhayal
• [Pw_forum] Help XSPectra calculation   Suman Dhayal
• [Pw_forum] Help!   Suman Dhayal
• [Pw_forum] Help!   Suman Dhayal
• [Pw_forum] Help!   Suman Dhayal
• [Pw_forum] distributed computing   Shruba Gangopadhyay
• [Pw_forum] 'mesh' in LD1.x   Xiaochuan Ge
• [Pw_forum] 'mesh' in LD1.x   Xiaochuan Ge
• [Pw_forum] 'mesh' in LD1.x   Xiaochuan Ge
• [Pw_forum] odd # of electrons in primitive cell => metal ?   Prasenjit Ghosh
• [Pw_forum] distributed computing   Prasenjit Ghosh
• [Pw_forum] Photoemission Spectra   Prasenjit Ghosh
• [Pw_forum] GDIS   Paolo Giannozzi
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] subject (was: no subject)   Paolo Giannozzi
• [Pw_forum] distributed computing   Paolo Giannozzi
• [Pw_forum] pseudopotential   Paolo Giannozzi
• [Pw_forum] restart in phonon calculation   Paolo Giannozzi
• [Pw_forum] Constrained occupation   Paolo Giannozzi
• [Pw_forum] Total DOS and sum of PDOS don't overlap   Paolo Giannozzi
• [Pw_forum] Constrained occupation   Paolo Giannozzi
• [Pw_forum] Constrained occupation   Paolo Giannozzi
• [Pw_forum] Constrained occupation   Paolo Giannozzi
• [Pw_forum] xml_recover problem with phonon (ph.x) restart job   Paolo Giannozzi
• [Pw_forum] QE: install problem, 4.2.1   Paolo Giannozzi
• [Pw_forum] atomic energy levels in pseudopotential generation   Paolo Giannozzi
• [Pw_forum] QE: install problem, 4.2.1   Paolo Giannozzi
• [Pw_forum] atomic energy levels in pseudopotential generation   Paolo Giannozzi
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Paolo Giannozzi
• [Pw_forum] Problem in compilation   Paolo Giannozzi
• [Pw_forum] QE: install problem, 4.2.1   Paolo Giannozzi
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Paolo Giannozzi
• [Pw_forum] [Fwd: Workshop Computational Methods in Chemistry, ICCS 2011]   Paolo Giannozzi
• [Pw_forum] PDOS for P symmetry lacking in Ni   Paolo Giannozzi
• [Pw_forum] OPTIONAL VARIABLES FOR RAMAN   Paolo Giannozzi
• [Pw_forum] Example 12   Paolo Giannozzi
• [Pw_forum] XSPectra calculations!   Paolo Giannozzi
• [Pw_forum] MPI_Bcast error from cp.x   Paolo Giannozzi
• [Pw_forum] MPI_Bcast error from cp.x   Paolo Giannozzi
• [Pw_forum] MPI_Bcast error from cp.x   Paolo Giannozzi
• [Pw_forum] ERROR IN: iotk_scan_dat_aux and iotk_scan_dat of IOTK LIBRARY?   Paolo Giannozzi
• [Pw_forum] Error in phonon calculation   Paolo Giannozzi
• [Pw_forum] Error in phonon calculation   Paolo Giannozzi
• [Pw_forum] Help!   Paolo Giannozzi
• [Pw_forum] Plot given atomic orbital   Paolo Giannozzi
• [Pw_forum] Error in phonon calculation   Paolo Giannozzi
• [Pw_forum] Error in phonon calculation and during tests also?   Paolo Giannozzi
• [Pw_forum] cppp.x ---- IONS not found in data-file.xml   Paolo Giannozzi
• [Pw_forum] charge density in o2 molecule   Paolo Giannozzi
• [Pw_forum] Problem running pw4gww.x   Paolo Giannozzi
• [Pw_forum] Multiple issues with graphene supercell calculations   Paolo Giannozzi
• [Pw_forum] Problem with constraining an atomic position   Paolo Giannozzi
• [Pw_forum] Problem with constraining an atomic position   Paolo Giannozzi
• [Pw_forum] on nosym=.true.   Paolo Giannozzi
• [Pw_forum] cell_dofree   Paolo Giannozzi
• [Pw_forum] band structure of a 60 atom grain boundary   Paolo Giannozzi
• [Pw_forum] Request   Paolo Giannozzi
• [Pw_forum] cell_dofree   Paolo Giannozzi
• [Pw_forum] equation of states   Paolo Giannozzi
• [Pw_forum] (solved) Error in phonon calculation and duringtests also?   Paolo Giannozzi
• [Pw_forum] wannier90.x missing   Paolo Giannozzi
• [Pw_forum] Van der Waals interaction in PWSCF   Stefano de Gironcoli
• [Pw_forum] Total DOS and sum of PDOS don't overlap   Stefano de Gironcoli
• [Pw_forum] atomic positions   Stefano de Gironcoli
• [Pw_forum] Constrained occupation   Stefano de Gironcoli
• [Pw_forum] 'mesh' in LD1.x   Stefano de Gironcoli
• [Pw_forum] 'mesh' in LD1.x   Stefano de Gironcoli
• [Pw_forum] atomic positions   Stefano de Gironcoli
• [Pw_forum] on nosym=.true.   Stefano de Gironcoli
• [Pw_forum] cohesive energy calculation of Zn   Mighfar Imam
• [Pw_forum] cell_dofree   Mighfar Imam
• [Pw_forum] cell_dofree   Mighfar Imam
• [Pw_forum] set_irr error during phonon calculation   Eyvaz Isaev
• [Pw_forum] odd # of electrons in primitive cell => metal ?   Eyvaz Isaev
• [Pw_forum] odd # of electrons in primitive cell => metal ?   Eyvaz Isaev
• [Pw_forum] restart in phonon calculation   Eyvaz Isaev
• [Pw_forum] LDA+DMFT   Eyvaz Isaev
• [Pw_forum] LDA+DMFT (Eyvaz Isaev)   Eyvaz Isaev
• [Pw_forum] PostDoc position   Eyvaz Isaev
• [Pw_forum] Error in phonon calculation   Eyvaz Isaev
• [Pw_forum] Error in phonon calculation   Eyvaz Isaev
• [Pw_forum] Error in phonon calculation   Eyvaz Isaev
• [Pw_forum] QHA release   Eyvaz Isaev
• [Pw_forum] valence electron charge density   Eyvaz Isaev
• [Pw_forum] a2F.dos.1   Eyvaz Isaev
• [Pw_forum] on nosym=.true.   Eyvaz Isaev
• [Pw_forum] on nosym=.true.   Eyvaz Isaev
• [Pw_forum] a2F.dos.1   Eyvaz Isaev
• [Pw_forum] q2r and electron-phonon interaction   Eyvaz Isaev
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Constrained occupation   Jie Jiang
• [Pw_forum] Request   Thaneshwor Kaloni
• [Pw_forum] restart in phonon calculation   Vera Klekovkina
• [Pw_forum] GDIS   B. Koa
• [Pw_forum] GDIS   B. Koa
• [Pw_forum] How to get the wannier_band.dat file   Dmitry Korotin
• [Pw_forum] norm conserving pseudopotential with multiple projectors and semicores   Emine Kucukbenli
• [Pw_forum] cohesive energy calculation of Zn   Emine Kucukbenli
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Duy Le
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Duy Le
• [Pw_forum] Weiguang Chen wants to stay in touch on LinkedIn   Weiguang Chen via LinkedIn
• [Pw_forum] Possible bugs in the electron-phonon calculation   Andreas Linscheid
• [Pw_forum] Van der Waals interaction in PWSCF   Juan Manuel Lopez
• [Pw_forum] PDOS for P symmetry lacking in Ni   Juan Manuel Lopez
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Brad Malone
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Brad Malone
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Brad Malone
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Brad Malone
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Brad Malone
• [Pw_forum] Total DOS and sum of PDOS don't overlap   Luis Martínez
• [Pw_forum] distributed computing   Nicola Marzari
• [Pw_forum] Constrained occupation   Nicola Marzari
• [Pw_forum] Constrained occupation   Nicola Marzari
• [Pw_forum] Constrained occupation   Nicola Marzari
• [Pw_forum] LDA+DMFT (Eyvaz Isaev)   Nicola Marzari
• [Pw_forum] wannier function   Nicola Marzari
• [Pw_forum] tddfpt.x manual   Giuseppe Mattioli
• [Pw_forum] tddfpt.x manual   Giuseppe Mattioli
• [Pw_forum] atomic energy levels in pseudopotential generation   Maosheng Miao
• [Pw_forum] atomic energy levels in pseudopotential generation   Maosheng Miao
• [Pw_forum] atomic energy levels in pseudopotential generation   Maosheng Miao
• [Pw_forum] atomic energy levels in pseudopotential generation   Maosheng Miao
• [Pw_forum] band structure of a 60 atom grain boundary   Elie Moujaes
• [Pw_forum] wannier90.x missing   Elie Moujaes
• [Pw_forum] wannier90.x missing   Elie Moujaes
• [Pw_forum] wannier90.x missing   Elie Moujaes
• [Pw_forum] wannier90.x missing   Elie Moujaes
• [Pw_forum] pw2wannier error   Elie Moujaes
• [Pw_forum] Error in phonon calculation   Jeff Mullen
• [Pw_forum] atomic positions   Abolore Musari
• [Pw_forum] Total DOS and sum of PDOS don't overlap   Masoud Nahali
• [Pw_forum] Graphene structure   Ettore Baldini Neto
• [Pw_forum] Graphene structure   Ettore Baldini Neto
• [Pw_forum] equation of states   Payam Norouzzadeh
• [Pw_forum] PP output   Peter O Orondo
• [Pw_forum] Problem in compilation   Padmaja Patnaik
• [Pw_forum] Finding Curie temperature   Padmaja Patnaik
• [Pw_forum] band structure   Lorenzo Paulatto
• [Pw_forum] Details on "third order derivatives not implemented with GGA" error   Lorenzo Paulatto
• [Pw_forum] Error in phonon calculation   Lorenzo Paulatto
• [Pw_forum] PP output   Lorenzo Paulatto
• [Pw_forum] Error in phonon calculation and during tests also?   Lorenzo Paulatto
• [Pw_forum] valence electron charge density   Lorenzo Paulatto
• [Pw_forum] Problem with constraining an atomic position   Mahmoud Payami
• [Pw_forum] Problem with constraining an atomic position   Mahmoud Payami
• [Pw_forum] Problem with constraining an atomic position   Mahmoud Payami
• [Pw_forum] Problem with constraining an atomic position   Mahmoud Payami
• [Pw_forum] Problem with constraining an atomic position   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] on nosym=.true.   Mahmoud Payami
• [Pw_forum] cppp.x ---- IONS not found in data-file.xml   Giovanni La Penna
• [Pw_forum] GDIS   Eduardo Ariel Menendez Proupin
• [Pw_forum] distributed computing   Eduardo Ariel Menendez Proupin
• [Pw_forum] PDOS for P symmetry lacking in Ni   Eduardo Ariel Menendez Proupin
• [Pw_forum] OPTIONAL VARIABLES FOR RAMAN   Eduardo Ariel Menendez Proupin
• [Pw_forum] PDOS for P symmetry lacking in Ni   Eduardo Ariel Menendez Proupin
• [Pw_forum] LDA+DMFT   Q.J.Wang
• [Pw_forum] LDA+DMFT (Eyvaz Isaev)   Q.J.Wang
• [Pw_forum] cell_dofree   S. K. S.
• [Pw_forum] HOW TO COMPUTE Effective charge for FM INSULATOR using PWSCF?   S. K. S.
• [Pw_forum] Multiple issues with graphene supercell calculations   DHRUV SINGH
• [Pw_forum] cell_dofree   Srijan Kumar Saha
• [Pw_forum] Finding Curie temperature   German Samolyuk
• [Pw_forum] Van der Waals interaction in PWSCF   Gabriele Sclauzero
• [Pw_forum] Constrained occupation   Gabriele Sclauzero
• [Pw_forum] PDOS for P symmetry lacking in Ni   Gabriele Sclauzero
• [Pw_forum] PDOS for P symmetry lacking in Ni   Gabriele Sclauzero
• [Pw_forum] PDOS for P symmetry lacking in Ni   Gabriele Sclauzero
• [Pw_forum] Multiple issues with graphene supercell calculations   Gabriele Sclauzero
• [Pw_forum] Graphene structure   Gabriele Sclauzero
• [Pw_forum] Multiple issues with graphene supercell calculations   Gabriele Sclauzero
• [Pw_forum] Multiple issues with graphene supercell calculations   Gabriele Sclauzero
• [Pw_forum] Multiple issues with graphene supercell calculations   Gabriele Sclauzero
• [Pw_forum] on nosym=.true.   Gabriele Sclauzero
• [Pw_forum] on nosym=.true.   Gabriele Sclauzero
• [Pw_forum] on nosym=.true.   Gabriele Sclauzero
• [Pw_forum] on nosym=.true.   Gabriele Sclauzero
• [Pw_forum] Help!   Gabriele Sclauzero
• [Pw_forum] wannier90.x missing   Gabriele Sclauzero
• [Pw_forum] ibrav for Bmmb group   Gabriele Sclauzero
• [Pw_forum] wannier90.x missing   Gabriele Sclauzero
• [Pw_forum] XSPectra calculations!   Ari P Seitsonen
• [Pw_forum] XSPectra calculations!   Ari P Seitsonen
• [Pw_forum] on nosym=.true.   Mahmoud Payami Shabestari
• [Pw_forum] on nosym=.true.   Mahmoud Payami Shabestari
• [Pw_forum] valence electron charge density   Shaptrishi Sharma
• [Pw_forum] Multiple issues with graphene supercell calculations   Dhruv Singh
• [Pw_forum] Multiple issues with graphene supercell calculations   Dhruv Singh
• [Pw_forum] Problem running pw4gww.x   Somnath
• [Pw_forum] Van der Waals interaction in PWSCF   Michael Sullivan
• [Pw_forum] QM/MM and/or external charges in QE   Michael Sullivan
• [Pw_forum] changing vdW radii for dispersion correction   Michael Sullivan
• [Pw_forum] Error in phonon calculation   Ali Tavana
• [Pw_forum] Error in phonon calculation   Ali Tavana
• [Pw_forum] Error in phonon calculation   Ali Tavana
• [Pw_forum] Error in phonon calculation   Ali Tavana
• [Pw_forum] Error in phonon calculation   Ali Tavana
• [Pw_forum] Error in phonon calculation   Ali Tavana
• [Pw_forum] Error in phonon calculation   Ali Tavana
• [Pw_forum] (solved) Error in phonon calculation and during tests also?   Ali Tavana
• [Pw_forum] Graphene structure   Hande Ustunel
• [Pw_forum] distributed computing   W2AGZ
• [Pw_forum] Example 12   W2AGZ
• [Pw_forum] T>0 DFT   W2AGZ
• [Pw_forum] cppp.x ---- IONS not found in data-file.xml   Riping WANG
• [Pw_forum] set_irr error during phonon calculation   Kun Yin
• [Pw_forum] set_irr error during phonon calculation   Kun Yin
• [Pw_forum] (solved) Error in phonon calculation and duringtests also?   Huiqun Zhou
• [Pw_forum] Error in phonon calculation   Vasse chis
• [Pw_forum] QM/MM and/or external charges in QE   marsamos at democritos.it
• [Pw_forum] Van der Waals interaction in PWSCF   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Van der Waals interaction in PWSCF   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Reference of PWCOND   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] do the relaxation under external electric field   chenjie gu
• [Pw_forum] wannier function   lan haiping
• [Pw_forum] xml_recover problem with phonon (ph.x) restart job   elbuesta at icqmail.com
• [Pw_forum] QE: install problem, 4.2.1   ac.rain at inbox.com
• [Pw_forum] QE: install problem, 4.2.1   ac.rain at inbox.com
• [Pw_forum] QE: install problem, 4.2.1   ac.rain at inbox.com
• [Pw_forum] cohesive energy calculation of Zn   kajal jindal
• [Pw_forum] cohesive energy calculation of Zn   kajal jindal
• [Pw_forum] Problem in compilation   ramesh kumar
• [Pw_forum] atom positions   ramesh kumar
• [Pw_forum] odd # of electrons in primitive cell => metal ?   sonu kumar
• [Pw_forum] odd # of electrons in primitive cell => metal ?   sonu kumar
• [Pw_forum] odd # of electrons in primitive cell => metal ?   sonu kumar
• [Pw_forum] ERROR IN: iotk_scan_dat_aux and iotk_scan_dat of IOTK LIBRARY?   sonu kumar
• [Pw_forum] ERROR IN: iotk_scan_dat_aux and iotk_scan_dat of IOTK LIBRARY?   sonu kumar
• [Pw_forum] Error in phonon calculation and during tests also?   sonu kumar
• [Pw_forum] Error in phonon calculation and during tests also?   sonu kumar
• [Pw_forum] (solved) Error in phonon calculation and during tests also?   sonu kumar
• [Pw_forum] ibrav for Bmmb group   giacsport at libero.it
• [Pw_forum] atomic positions   bayo mus
• [Pw_forum] band structure   bayo mus
• [Pw_forum] q2r and electron-phonon interaction   sama at ns.dcci.unipi.it
• [Pw_forum] q2r and electron-phonon interaction   sama at ns.dcci.unipi.it
• [Pw_forum] Pseudopotential for Nd   soroush pakseresht
• [Pw_forum] Pseudopotential for Nd   soroush pakseresht
• [Pw_forum] bulk modulus in orthorhombic structure   premlata pandit
• [Pw_forum] Example 12 (W2AGZ)   meysam pazoki
• [Pw_forum] How to get the wannier_band.dat file   yumin qian
• [Pw_forum] How to get the wannier_band.dat file   yumin qian
• [Pw_forum] charge density in o2 molecule   farid taherkhani
• [Pw_forum] a2F.dos.1   wangwei
• [Pw_forum] a2F.dos.1   wangwei
• [Pw_forum] pseudopotential   wumindt2
• [Pw_forum] pseudopotential   wumindt2
• [Pw_forum] wannier function   wumindt2
• [Pw_forum] wannier function   wumindt2
• [Pw_forum] wannier function   wumindt2
• [Pw_forum] wannier function   wumindt2
• [Pw_forum] wannier function   wumindt2
• [Pw_forum] wannier function   wumindt2
• [Pw_forum] Reference of PWCOND   xirainbow

Last message date: Tue Nov 30 13:56:09 CET 2010
Archived on: Tue Nov 30 13:56:23 CET 2010

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