October 2023 Archives by author

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Starting: Fri Oct 6 19:01:51 CEST 2023
Ending: Tue Oct 31 14:25:48 CET 2023
Messages: 75

• [QE-users] Query related the comparision of LAMMPS MD simulation and AIMD simulation with pw.x code   Jayraj Anadani
• [QE-users] Query on AIMD simulation with pw.x code in QE and LAMMPS MD simulation.   Jayraj Anadani
• [QE-users] can i use this trick to do faster MD calculation using pw.x ?   Jayraj Anadani
• [QE-users] can i use this trick to do faster MD calculation using pw.x ?   Jayraj Anadani
• [QE-users] can i use this trick to do faster MD calculation using pw.x ?   Jayraj Anadani
• [QE-users] why internal energy E is circulating around fix temperature in PWscf MD?   Jayraj Anadani
• [QE-users] ph.x Not writing all the dynamical matrices files   Eesha Sanjay Andharia
• [QE-users] ph.x Not writing all the dynamical matrices files   Eesha Sanjay Andharia
• [QE-users] ph.x Not writing all the dynamical matrices files   Eesha Sanjay Andharia
• [QE-users] [Webinar] Multiscale and data-driven methods for the simulation of material failure   Dr.Mosab Banisalman
• [QE-users] Naive questions about input files 2D perovskite phonon calculation   Lorenzo Bastonero
• [QE-users] Naive question of choosing the number of unit cell to calculate vibrational frequencies   Lorenzo Bastonero
• [QE-users] Self-consistent calculation of Hubbard U parameter diverges   Dorde DANGIC
• [QE-users] Self-consistent calculation of Hubbard U parameter diverges   Dorde DANGIC
• [QE-users] Problems instaling QE-7.2   Luiz Felipe
• [QE-users] pw.x does not recognize pseudopotential file   Luiz Felipe
• [QE-users] pw.x does not recognize pseudopotential file   Luiz Felipe
• [QE-users] Test + Postdoctoral position   Paolo Giannozzi
• [QE-users] Test + Postdoctoral position   Paolo Giannozzi
• [QE-users] Problems instaling QE-7.2   Paolo Giannozzi
• [QE-users] Job stopped on wfcs are random step   Paolo Giannozzi
• [QE-users] question about upf2plotcore.sh   Paolo Giannozzi
• [QE-users] pw.x does not recognize pseudopotential file   Paolo Giannozzi
• [QE-users] Compilation error of quantum espresso 7.2 with nvfortran   Paolo Giannozzi
• [QE-users] question about upf2plotcore.sh   Ishiyama,Takahisa_石山 貴久
• [QE-users] question about upf2plotcore.sh   Ishiyama,Takahisa_石山 貴久
• [QE-users] about making two core hole pseudopotentials   Ishiyama,Takahisa_石山 貴久
• [QE-users] About Phonon calculations, is it possible to calculater lraman (Raman) without calculating the the repentation Self-consistent Calculation again, it is a lot of cost.   Ramesh Kumar Kamadurai
• [QE-users] REGARDING ERROR IN HSE CALCULATION   Hsin-Yu Ko
• [QE-users] Born Huang and Huang invariance conditions   Changpeng Lin
• [QE-users] can i use this trick to do faster MD calculation using pw.x ?   KRISHNENDU MUKHERJEE
• [QE-users] can i use this trick to do faster MD calculation using pw.x ?   Nicola Marzari
• [QE-users] Born Huang and Huang invariance conditions   Nicola Marzari
• [QE-users] Electron-phonon-wannier   Timon Moško
• [QE-users] ph.x Not writing all the dynamical matrices files   Mpayami
• [QE-users] QE-TDDFT TDDFT calculation of absorption spectrum problems   Kazume NISHIDATE
• [QE-users] QE-TDDFT   Kazume NISHIDATE
• [QE-users] can i use this trick to do faster MD calculation using pw.x ?   Kazume NISHIDATE
• [QE-users] Compilation error of quantum espresso 7.2 with nvfortran   Collins Nganou
• [QE-users] Job stopped on wfcs are random step   Aziz Ogutlu
• [QE-users] REGARDING ERROR IN HSE CALCULATION   Lorenzo Paulatto
• [QE-users] about making two core hole pseudopotentials   Lorenzo Paulatto
• [QE-users] ph.x Not writing all the dynamical matrices files   Lorenzo Paulatto
• [QE-users] ph.x Not writing all the dynamical matrices files   Lorenzo Paulatto
• [QE-users] TDDFPT imaginary and real parts of the dielectric function.   Elio Physics
• [QE-users] Born Huang and Huang invariance conditions   Elio Physics
• [QE-users] Born Huang and Huang invariance conditions   Elio Physics
• [QE-users] REGARDING ERROR IN HSE CALCULATION   Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU)
• [QE-users] how to plot the figure of spin charge density ?   Yue Qiang
• [QE-users] Self-consistent calculation of Hubbard U parameter diverges   Iurii Timrov
• [QE-users] QE-TDDFT TDDFT calculation of absorption spectrum problems   Iurii Timrov
• [QE-users] QE-TDDFT TDDFT calculation of absorption spectrum problems   Iurii Timrov
• [QE-users] QE-TDDFT TDDFT calculation of absorption spectrum problems   Iurii Timrov
• [QE-users] Compute the higer order commutator [r, [r, H]], or in other sense commutator between r and the commutator between r and nonlocal potential   Tiwari, Vishal
• [QE-users] optimization using MBD   Corina Urdaniz
• [QE-users] Optimization using MBD   Corina Urdaniz
• [QE-users] not orthogonal operation   XI Wenlong
• [QE-users] Error in routine seqopn   Akhil g.nair
• [QE-users] QE-TDDFT   ivanpck-cetmic.unlp.edu.ar
• [QE-users] QE-TDDFT   ivanpck-cetmic.unlp.edu.ar
• [QE-users] Naive questions about input files 2D perovskite phonon calculation   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] pw.x does not recognize pseudopotential file   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] Naive question of choosing the number of unit cell to calculate vibrational frequencies   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] Naive question of choosing the number of unit cell to calculate vibrational frequencies   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] Naive question of choosing the number of unit cell to calculate vibrational frequencies   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] Phonon calculations, is it possible to calculater lraman (Raman) without calculating the the repentation Self-consistent Calculation again, it is a lot of cost.   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] Error in routine seqopn   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] Phonon calculations, is it possible to calculater lraman (Raman) without calculating the the repentation Self-consistent Calculation again, it is a lot of cost.   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] About Phonon calculations, is it possible to calculater lraman (Raman) without calculating the the repentation Self-consistent Calculation again, it is a lot of cost.   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] About Phonon calculations, is it possible to calculater lraman (Raman) without calculating the the repentation Self-consistent Calculation again, it is a lot of cost.   ludwigboltzmann.sc10 at nycu.edu.tw
• [QE-users] QE-TDDFT   马雨薇
• [QE-users] QE-TDDFT TDDFT calculation of absorption spectrum problems   马雨薇
• [QE-users] QE-TDDFT TDDFT calculation of absorption spectrum problems   马雨薇
• [QE-users] QE-TDDFT TDDFT calculation of absorption spectrum problems   马雨薇
• [QE-users] QE-TDDFT   马雨薇

Last message date: Tue Oct 31 14:25:48 CET 2023
Archived on: Tue Oct 31 14:26:41 CET 2023

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