December 2007 Archives by author

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Starting: Sat Dec 1 06:21:53 CET 2007
Ending: Fri Dec 28 21:16:29 CET 2007
Messages: 240

• [Pw_forum] Problem with q2r.x running   Viet Bac
• [Pw_forum] Problem with q2r.x running   Viet Bac
• [Pw_forum] Strange phonon branches appear in phonon dispersion   Viet Bac
• [Pw_forum] Strange phonon branches appear in phonon dispersion   Viet Bac
• [Pw_forum] (no subject)   Rudra Banerjee
• [Pw_forum] calculating lambda for a phonon band structure with imaginary frequencies   Stefano Baroni
• [Pw_forum] calculating lambda for a phonon band structure with imaginary frequencies   Stefano Baroni
• [Pw_forum] about the precision of energy and some extend problem.   Stefano Baroni
• [Pw_forum] bands_FS.x and spin polarized metals   Stefano Baroni
• [Pw_forum] IFC's and eigendisplacements in example06   Stefano Baroni
• [Pw_forum] Electron-phonon calculation   Stefano Baroni
• [Pw_forum] Electron-phonon calculation   Stefano Baroni
• [Pw_forum] Raman and IR intensities for a metal   Stefano Baroni
• [Pw_forum] About ecutwfc and ecutrho again   Stefano Baroni
• [Pw_forum] Optical properties   Andrea Benassi
• [Pw_forum] Optical properties   Andrea Benassi
• [Pw_forum] Pw_forum Digest, Vol 5, Issue 58   Somesh Kumar Bhattacharya
• [Pw_forum] XD1 is on again   Elena Cannuccia
• [Pw_forum] a complex and old question about why the erengy is down when i enlarge one of the crystal lattice   Elena Cannuccia
• [Pw_forum] Could PWscf code handle the atom or molecule in external magnetic field ?   Davide Ceresoli
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Matteo Cococcioni
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Matteo Cococcioni
• [Pw_forum] Help   John K. Dogbe
• [Pw_forum] pools not implemented   John K. Dogbe
• [Pw_forum] pools not implemented - follow up   John K. Dogbe
• [Pw_forum] electron-phonon coefficients   Ion Errea
• [Pw_forum] Optical properties   Andrea Ferretti
• [Pw_forum] A problem about plotrho   Guido Fratesi
• [Pw_forum] a complex and old question about why the erengy is down when i enlarge one of the crystal lattice   Katalin Gaal-Nagy
• [Pw_forum] question on q2r.f90   Guoying Gao
• [Pw_forum] question on q2r.f90   Guoying Gao
• [Pw_forum] question on q2r.f90   Guoying Gao
• [Pw_forum] question on matdyn.x   Guoying Gao
• [Pw_forum] question on matdyn.x   Guoying Gao
• [Pw_forum] question on q2r.f90   Guoying Gao
• [Pw_forum] question on ibrav=0   Guoying Gao
• [Pw_forum] question on ibrav=0   Guoying Gao
• [Pw_forum] calculating lambda for a phonon band structure with imaginary frequencies   Guoying Gao
• [Pw_forum] calculating lambda for a phonon band structure with imaginary frequencies   Guoying Gao
• [Pw_forum] the unit of lambda   Guoying Gao
• [Pw_forum] the unit of lambda   Guoying Gao
• [Pw_forum] Problem with q2r.x running   Paolo Giannozzi
• [Pw_forum] installation problem   Paolo Giannozzi
• [Pw_forum] CRASH when running example18   Paolo Giannozzi
• [Pw_forum] Help   Paolo Giannozzi
• [Pw_forum] phonon with nspin=2 - not implemented ?   Paolo Giannozzi
• [Pw_forum] Problem with q2r.x running   Paolo Giannozzi
• [Pw_forum] erro wrong attomic cordinates for 5-0 nanotub   Paolo Giannozzi
• [Pw_forum] how to convert a pseudopotential with semi-core states generated by OPIUM to PWSCF UPF format?   Paolo Giannozzi
• [Pw_forum] A problem about plotrho   Paolo Giannozzi
• [Pw_forum] use of Virtual.x   Paolo Giannozzi
• [Pw_forum] Local density of electronic entropy   Paolo Giannozzi
• [Pw_forum] pools not implemented   Paolo Giannozzi
• [Pw_forum] bands_FS.x and spin polarized metals   Paolo Giannozzi
• [Pw_forum] bands_FS.x and spin polarized metals   Paolo Giannozzi
• [Pw_forum] pools not implemented - follow up   Paolo Giannozzi
• [Pw_forum] how to control the writing of wavefunction   Paolo Giannozzi
• [Pw_forum] Electron-phonon calculation   Paolo Giannozzi
• [Pw_forum] pp.in   Paolo Giannozzi
• [Pw_forum] A problem about pdos   Paolo Giannozzi
• [Pw_forum] Raman and IR intensities for a metal   Paolo Giannozzi
• [Pw_forum] Problem of pseudopotential file   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 6, Issue 39   Paolo Giannozzi
• [Pw_forum] Wild phonons   Paolo Giannozzi
• [Pw_forum] relax question   Paolo Giannozzi
• [Pw_forum] average.x   Paolo Giannozzi
• [Pw_forum] About nelec and tot_charge again   Paolo Giannozzi
• [Pw_forum] optimizing pw input parameters   Paolo Giannozzi
• [Pw_forum] Error message from NEB calculation   Paolo Giannozzi
• [Pw_forum] about 'md'   Paolo Giannozzi
• [Pw_forum] Machine-specific FFT's   Paolo Giannozzi
• [Pw_forum] Error message from NEB calculation   Paolo Giannozzi
• [Pw_forum] About vibriational spectra   Paolo Giannozzi
• [Pw_forum] cvs version in parallel, a problem   Paolo Giannozzi
• [Pw_forum] about Fermi Energy shift in periodic (q=0) perturbations   Stefano de Gironcoli
• [Pw_forum] question on q2r.f90   Stefano de Gironcoli
• [Pw_forum] how PAW should be used?   Stefano de Gironcoli
• [Pw_forum] Strange phonon branches appear in phonon dispersion   Stefano de Gironcoli
• [Pw_forum] Wave function to charge density   Stefano de Gironcoli
• [Pw_forum] FW: about Fermi Energy shift in periodic (q=0) perturbations   Stefano de Gironcoli
• [Pw_forum] Vanderbilt USPP   Stefano de Gironcoli
• [Pw_forum] hamiltonian matrix   Stefano de Gironcoli
• [Pw_forum] relax question   Stefano de Gironcoli
• [Pw_forum] mixing_beta and mixing_ndim   Stefano de Gironcoli
• [Pw_forum] phonon dispersion curve   Stefano de Gironcoli
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Henning Glawe
• [Pw_forum] bands_FS.x and spin polarized metals   Paul M. Grant
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Paul M. Grant
• [Pw_forum] bands_FS.x and spin polarized metals   Paul M. Grant
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Paul M. Grant
• [Pw_forum] Optical properties   Paul M. Grant
• [Pw_forum] question on matdyn.x   Eyvaz Isaev
• [Pw_forum] bands_FS.x and spin polarized metals   Eyvaz Isaev
• [Pw_forum] bands_FS.x and spin polarized metals   Eyvaz Isaev
• [Pw_forum] bands_FS.x and spin polarized metals   Eyvaz Isaev
• [Pw_forum] Merry X-mass!   Eyvaz Isaev
• [Pw_forum] the unit of lambda   Eyvaz Isaev
• [Pw_forum] Error message from NEB calculation   Eyvaz Isaev
• [Pw_forum] Error message from NEB calculation   Eyvaz Isaev
• [Pw_forum] Forces and finite electric fields (via Berry phase)   Sohrab Ismail-Beigi
• [Pw_forum] To get layer projected DOS   Mousumi Upadhyay Kahaly
• [Pw_forum] about 'md'   Dongdong Kang
• [Pw_forum] diago_full_acc   EG Kim
• [Pw_forum] Pw_forum Digest, Vol 5, Issue 58   Axel Kohlmeyer
• [Pw_forum] (no subject)   Axel Kohlmeyer
• [Pw_forum] a superficial question about the same parameters in relax and scf   Axel Kohlmeyer
• [Pw_forum] About nelec and tot_charge   Axel Kohlmeyer
• [Pw_forum] erro wrong attomic cordinates for 5-0 nanotub   Axel Kohlmeyer
• [Pw_forum] The perseudoes   Axel Kohlmeyer
• [Pw_forum] Pw_forum Digest, Vol 6, Issue 39   Axel Kohlmeyer
• [Pw_forum] About ecutwfc and ecutrho again   Axel Kohlmeyer
• [Pw_forum] About nelec and tot_charge again   Axel Kohlmeyer
• [Pw_forum] About relaxation and cpmd   Axel Kohlmeyer
• [Pw_forum] k_max and k_min   Axel Kohlmeyer
• [Pw_forum] Error message from NEB calculation   Axel Kohlmeyer
• [Pw_forum] About NEB restart   Tone Kokalj
• [Pw_forum] cvs version in parallel, a problem   Jess Kondor
• [Pw_forum] Wave function to charge density   Dmitry Korotin
• [Pw_forum] IFC's and eigendisplacements in example06   Ömer Koç
• [Pw_forum] IFC's and eigendisplacements in example06   Ömer Koç
• [Pw_forum] phonon with nspin=2 - not implemented ?   Konstantin Kudin
• [Pw_forum] Local density of electronic entropy   Clark Lee
• [Pw_forum] Ni pseudopotential file   Clark Lee
• [Pw_forum] Problem of pseudopotential file   Clark Lee
• [Pw_forum] About vibriational spectra   Clark Lee
• [Pw_forum] Error message from NEB calculation   Dong-Hee Lim
• [Pw_forum] Raman and IR intensities for a metal   Miriam Marques
• [Pw_forum] Raman and IR intensities   Miriam Marques
• [Pw_forum] Wild phonons   Miguel Mart=?US-ASCII?Q?=ED?=nez
• [Pw_forum] Wild phonons   Miguel Marti­nez
• [Pw_forum] relax question   Miguel Marti­nez
• [Pw_forum] about Fermi Energy shift in periodic (q=0) perturbations   Nicola Marzari
• [Pw_forum] bands_FS.x and spin polarized metals   Nicola Marzari
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Nicola Marzari
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Nicola Marzari
• [Pw_forum] The perseudoes   Nicola Marzari
• [Pw_forum] Wild phonons   Nicola Marzari
• [Pw_forum] Pw_forum Digest, Vol 6, Issue 39   Nicola Marzari
• [Pw_forum] About ecutwfc and ecutrho again   Nicola Marzari
• [Pw_forum] About ecutwfc and ecutrho again   Nicola Marzari
• [Pw_forum] about 'md'   Nicola Marzari
• [Pw_forum] Local density of electronic entropy   Agostino Migliore
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Agostino Migliore
• [Pw_forum] Local density of electronic entropy   Agostino Migliore
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Agostino Migliore
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Agostino Migliore
• [Pw_forum] CuO, LDA+U, Pseudopots, etc.   Agostino Migliore
• [Pw_forum] Plot phonon dispersion   Marcel Mohr
• [Pw_forum] Strange phonon branches appear in phonon dispersion   Marcel Mohr
• [Pw_forum] Strange phonon branches appear in phonon dispersion   Marcel Mohr
• [Pw_forum] bands_FS.x and spin polarized metals   Marcel Mohr
• [Pw_forum] Wannier90 v1.1   Arash Mostofi
• [Pw_forum] diago_full_acc   Lorenzo Paulatto
• [Pw_forum] question on ibrav=0   Lorenzo Paulatto
• [Pw_forum] how to convert a pseudopotential with semi-core states generated by OPIUM to PWSCF UPF format?   Lorenzo Paulatto
• [Pw_forum] how to control the writing of wavefunction   Lorenzo Paulatto
• [Pw_forum] how to control the writing of wavefunction   Lorenzo Paulatto
• [Pw_forum] how to control the writing of wavefunction   Lorenzo Paulatto
• [Pw_forum] about electron charge density   Lorenzo Paulatto
• [Pw_forum] Vanderbilt USPP   S. K. S.
• [Pw_forum] CRASH when running example18   Peiqing Shen
• [Pw_forum] about Fermi Energy shift in periodic (q=0) perturbations   Ezad Shojaee
• [Pw_forum] FW: about Fermi Energy shift in periodic (q=0) perturbations   Ezad Shojaee
• [Pw_forum] Cygwin Install Issue   Jack Shultz
• [Pw_forum] Cygwin Install Issue   Jack Shultz
• [Pw_forum] use of Virtual.x   Jérémie Teyssier
• [Pw_forum] a complex and old question about why the erengy is down when i enlarge one of the crystal lattice   Hande Ustunel
• [Pw_forum] erro wrong attomic cordinates for 5-0 nanotub   Hande Ustunel
• [Pw_forum] erro wrong attomic cordinates for 5-0 nanotub   Hande Ustunel
• [Pw_forum] about the precision of energy and some extend problem.   Hande Ustunel
• [Pw_forum] optimizing pw input parameters   Hande Ustunel
• [Pw_forum] About relaxation and cpmd   Manoj Warrier
• [Pw_forum] about electron charge density   Fan Yang
• [Pw_forum] can these small difference between energies be negligible?   William Yim
• [Pw_forum] how to continue my relax job   Huiqun Zhou
• [Pw_forum] bands_FS.x and spin polarized metals   Huiqun Zhou
• [Pw_forum] how to control the writing of wavefunction   Huiqun Zhou
• [Pw_forum] About ecutwfc and ecutrho again   Huiqun Zhou
• [Pw_forum] About ecutwfc and ecutrho again   Huiqun Zhou
• [Pw_forum] A¡@question about LDA+U calculation aobut Vanadium ?   Huiqun Zhou
• [Pw_forum] erro wrong attomic cordinates for 5-0 nanotub   meisam aghtar
• [Pw_forum] erro wrong attomic cordinates for 5-0 nanotub   meisam aghtar
• [Pw_forum] optimizing pw input parameters   meisam aghtar
• [Pw_forum] optimizing pw input parameters   meisam aghtar
• [Pw_forum] CHAN Serene is out of the office.   serenechan at charteredsemi.com
• [Pw_forum] mixing_beta and mixing_ndim   alan chen
• [Pw_forum] Forces and finite electric fields (via Berry phase)   umari at democritos.it
• [Pw_forum] (no subject)   lan haiping
• [Pw_forum] Merry X-mass!   lan haiping
• [Pw_forum] About nelec and tot_charge again   lan haiping
• [Pw_forum] About nelec and tot_charge again   lan haiping
• [Pw_forum] how PAW should be used?   Javad hashemifar
• [Pw_forum] pp.in   ali kazempoor
• [Pw_forum] hamiltonian matrix   ali kazempoor
• [Pw_forum] average.x   ali kazempoor
• [Pw_forum] spilling parameter   ali kazempoor
• [Pw_forum] Pw_forum Digest, Vol 6, Issue 37   lee0su at kist.re.kr
• [Pw_forum] Pw_forum Digest, Vol 6, Issue 38   lee0su at kist.re.kr
• [Pw_forum] Pw_forum Digest, Vol 6, Issue 39   lee0su at kist.re.kr
• [Pw_forum] installation problem   ramesh kumar
• [Pw_forum] optimizing pw input parameters   mbaris at metu.edu.tr
• [Pw_forum] about electron charge density   mbaris at metu.edu.tr
• [Pw_forum] Electron-phonon calculation   jitendra mishra
• [Pw_forum] phonon dispersion curve   zahra sadat naghavi
• [Pw_forum] A　question about LDA+U calculation aobut Vanadium ?   r95222066 at ntu.edu.tw
• [Pw_forum] About nelec and tot_charge   oulihui666
• [Pw_forum] A problem about plotrho   oulihui666
• [Pw_forum] Question about pdos   oulihui666
• [Pw_forum] A problem about pdos   oulihui666
• [Pw_forum] About NEB restart   oulihui666
• [Pw_forum] About nelec and tot_charge again   oulihui666
• [Pw_forum] About nelec and tot_charge again   oulihui666
• [Pw_forum] About relaxation and cpmd   oulihui666
• [Pw_forum] k_max and k_min   oulihui666
• [Pw_forum] The perseudoes   shoutian sun
• [Pw_forum] Questions about plotting   glevita at units.it
• [Pw_forum] relax question   zhentang wang
• [Pw_forum] relax question   zhentang wang
• [Pw_forum] relax question   zhentang wang
• [Pw_forum] how to continue my relax job   xu yuehua
• [Pw_forum] a complex and old question about why the erengy is down when i enlarge one of the crystal lattice   xu yuehua
• [Pw_forum] a complex and old question about why the erengy is down when i enlarge one of the crystal lattice   xu yuehua
• [Pw_forum] a superficial question about the same parameters in relax and scf   xu yuehua
• [Pw_forum] about the precision of energy and some extend problem.   xu yuehua
• [Pw_forum] how to control the writing of wavefunction   xu yuehua
• [Pw_forum] how to control the writing of wavefunction   xu yuehua
• [Pw_forum] how to control the writing of wavefunction   xu yuehua
• [Pw_forum] how to control the writing of wavefunction   xu yuehua
• [Pw_forum] how to control the writing of wavefunction   xu yuehua
• [Pw_forum] how to control the writing of wavefunction   xu yuehua
• [Pw_forum] help : E VS C curve gets worse whne i enlarge encut and ecutrho   xu yuehua
• [Pw_forum] continue-help:E VS C curve gets worse when i enlarge encut and ..   xu yuehua
• [Pw_forum] can these small difference between energies be negligible?   xu yuehua
• [Pw_forum] can these small difference between energies be negligible?   xu yuehua
• [Pw_forum] Merry X-mass!   xu yuehua
• [Pw_forum] Optical properties   yupiaofei(SDU)
• [Pw_forum] Optical properties   yupiaofei(SDU)
• [Pw_forum] how to convert a pseudopotential with semi-core states generated by OPIUM to PWSCF UPF format?   zhs064
• [Pw_forum] Could PWscf code handle the atom or molecule in external magnetic field ?   陳 少華
• [Pw_forum] Could PWscf code handle the atom or molecule in external magnetic field ?   陳 少華

Last message date: Fri Dec 28 21:16:29 CET 2007
Archived on: Fri Dec 28 21:17:40 CET 2007

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