July 2014 Archives by date

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Starting: Tue Jul 1 10:02:25 CEST 2014
Ending: Thu Jul 31 13:48:09 CEST 2014
Messages: 232

• [Pw_forum] Volume collapses when using vc-relax   Paolo Giannozzi
• [Pw_forum] PDOS plot for LaFeO3   Boateng Isaac Wiafe
• [Pw_forum] magnetism issues   Samin, Adib J.
• [Pw_forum] Volume collapses when using vc-relax   Mutlu COLAKOGULLARI
• [Pw_forum] problem in plotting fermi surface using xcrysden for 2D material   Anjali Singh
• [Pw_forum] NEB calculation, the energies of interpolated images are lower than the IS   Qianqian Wang
• [Pw_forum] Magnetic moment   Sclauzero Gabriele
• [Pw_forum] Do we need to saturate the dangling bonds? and how to add vacuum?   Sclauzero Gabriele
• [Pw_forum] problem in plotting fermi surface using xcrysden for 2D material   Sridhar Sadasivam
• [Pw_forum] problem: mix non-relativistic pp with fully-relativistic pp when turning on spin-orbit   Jiawei Zhou
• [Pw_forum] calculating the third-order expansion coefficients   Éric Germaneau
• [Pw_forum] Could the TDDFT be used to calculate the inorganic semiconductor?   shuai
• [Pw_forum] Could the TDDFT be used to calculate the inorganic semiconductor?   H.Y Geoffrey Tse
• [Pw_forum] electron phonon coupling constant with imaginary freq   Myungchul Jung
• [Pw_forum] Do we need to saturate the dangling bonds? and how to add vacuum?   siddheshwar chopra
• [Pw_forum] calculating the third-order expansion coefficients   Paolo Giannozzi
• [Pw_forum] Do we need to saturate the dangling bonds? and how to add vacuum?   Sclauzero Gabriele
• [Pw_forum] problem in plotting fermi surface using xcrysden for 2D material   Anjali Singh
• [Pw_forum] question on constraint magnetic moment calculation   Gabriele Sclauzero
• [Pw_forum] question on constraint magnetic moment calculation   Nguyen Chuong
• [Pw_forum] phononi   Masoud Avi
• [Pw_forum] phononi   Sanjeev Gupta
• [Pw_forum] （无主题）   Pang Rui
• [Pw_forum] question on constraint magnetic moment calculation   Pang Rui
• [Pw_forum] Fwd: phononi   Masoud Avi
• [Pw_forum] << calculation stopped? >>   I. Camps
• [Pw_forum] question on constraint magnetic moment calculation   Pang Rui
• [Pw_forum] about projwfc.x parallelization.   Mutlu COLAKOGULLARI
• [Pw_forum] question on constraint magnetic moment calculation   Gabriele Sclauzero
• [Pw_forum] Fwd: phononi   Maksim Markov
• [Pw_forum] question on constraint magnetic moment calculation   Pang Rui
• [Pw_forum] about projwfc.x parallelization.   Paolo Giannozzi
• [Pw_forum] Band structure calculations   balu shanigaram
• [Pw_forum] Fwd: visualization   yelena
• [Pw_forum] Bulk Modulus and Eigenvalue gap for Orthorhombic LaFeO3   Boateng Isaac Wiafe
• [Pw_forum] pw.x memory usage   Pierre-André Cazade
• [Pw_forum] spin orbit coupling   Samin, Adib J.
• [Pw_forum] pw.x memory usage   Paolo Giannozzi
• [Pw_forum] Problem with espresso and cuda 6.0   Fabricio Cannini
• [Pw_forum] Fwd: visualization   Nguyen Chuong
• [Pw_forum] Fwd: visualization   Éric Germaneau
• [Pw_forum] pw.x memory usage   Pierre.Cazade
• [Pw_forum] pw.x memory usage   Lorenzo Paulatto
• [Pw_forum] problem in plotting fermi surface using xcrysden for 2D material   Tone Kokalj
• [Pw_forum] Problem with espresso and cuda 6.0   Filippo Spiga
• [Pw_forum] Fwd: visualization   Paolo Giannozzi
• [Pw_forum] Reply: Subject: spin orbit coupling   simone marocchi
• [Pw_forum] tight-binding parameters   Nossa, Javier
• [Pw_forum] tight-binding parameters   Paolo Giannozzi
• [Pw_forum] XSpectra - tail of the spectrum falling relatively quickly   Yevgen Melikhov
• [Pw_forum] Problem with espresso and cuda 6.0   Fabricio Cannini
• [Pw_forum] QE on Xeon Phi   Eduardo Menendez
• [Pw_forum] QE on Xeon Phi   Axel Kohlmeyer
• [Pw_forum] Problem with espresso and cuda 6.0   Filippo Spiga
• [Pw_forum] Regarding LA-TA modes   Kondaiah Samudrala
• [Pw_forum] Problem with espresso and cuda 6.0   Fabricio Cannini
• [Pw_forum] Problem with restart mode of calculation   Ganjar Kurniawan
• [Pw_forum] Regarding LA-TA modes   xirainbow
• [Pw_forum] Problem with restart mode of calculation   Paolo Giannozzi
• [Pw_forum] Band structure calculations   balu shanigaram
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   siddheshwar chopra
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   Sanjeev Gupta
• [Pw_forum] QE on Xeon Phi   Eduardo Menendez
• [Pw_forum] QE on Xeon Phi   Axel Kohlmeyer
• [Pw_forum] Problem with restart mode of calculation (Paolo Giannozzi)   Ganjar Kurniawan
• [Pw_forum] Finding bond order inside the crystal   Saied Md Pratik
• [Pw_forum] Problem with restart mode of calculation (Paolo Giannozzi)   Paolo Giannozzi
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   Giovanni Pizzi
• [Pw_forum] single atom calculations   Samin, Adib J.
• [Pw_forum] Problem with espresso and cuda 6.0   Filippo Spiga
• [Pw_forum] single atom calculations   Masoud Nahali
• [Pw_forum] single atom calculations   Arles V. Gil Rebaza
• [Pw_forum] how to restart NEB calculations   Muhammad Adnan
• [Pw_forum] Fwd: problem with running ./run_all_examples in PHonon/examples folder   Anna Kuznetsova
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   siddheshwar chopra
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   Pang Rui
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   Paolo Giannozzi
• [Pw_forum] Fwd: problem with running ./run_all_examples in PHonon/examples folder   Paolo Giannozzi
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   siddheshwar chopra
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   siddheshwar chopra
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   Giovanni Cantele
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   siddheshwar chopra
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   Lorenzo Paulatto
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   siddheshwar chopra
• [Pw_forum] how to restart NEB calculations   Paolo Giannozzi
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   Tone Kokalj
• [Pw_forum] single atom calculations   Samin, Adib J.
• [Pw_forum] how to restart NEB calculations   Muhammad Adnan
• [Pw_forum] Fwd: problem with running ./run_all_examples in PHonon/examples folder   Anna Kuznetsova
• [Pw_forum] The corresponding WZ mode of the Phonons frequencies obtained???   BENYAHIA NEZHA
• [Pw_forum] Anyone used QE on raspberry pi?   siddheshwar chopra
• [Pw_forum] Fwd: problem with running ./run_all_examples in PHonon/examples folder   Iyad AL-QASIR
• [Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..   siddheshwar chopra
• [Pw_forum] Finding bond order inside the crystal   Paolo Giannozzi
• [Pw_forum] XSpectra - tail of the spectrum falling relatively quickly   Cristian Degli Esposti Boschi
• [Pw_forum] matdyn.modes   Uri Argaman
• [Pw_forum] tuning band gap via electric filed   Sohail Ahmad
• [Pw_forum] K PAW pseudopontential   dario rocca
• [Pw_forum] K PAW pseudopontential   Mehmet Topsakal
• [Pw_forum] Error while ESM calculation   Paolo Giannozzi
• [Pw_forum] Possible issue with cp.x, ESSL FFT, and ultrasoft pseudopotentials on Blue Gene/Q   James Buchwald
• [Pw_forum] Problem with ph.x code after a vc-relax scf run   Cameron Foss
• [Pw_forum] Problem with ph.x code after a vc-relax scf run   Duc-Long Nguyen
• [Pw_forum] Transmission calculation for simple metals   Vladislav Borisov
• [Pw_forum] Transmission calculation for simple metals   nicvok
• [Pw_forum] Problem with ph.x code after a vc-relax scf run   Paolo Giannozzi
• [Pw_forum] Transmission calculation for simple metals   Sclauzero Gabriele
• [Pw_forum] Transmission calculation for simple metals   Alex Smogunov
• [Pw_forum] Appliance of ph.x   Иван Булдашев
• [Pw_forum] k-points for optical properties   Eduardo Menendez
• [Pw_forum] FW: The corresponding WZ mode of the Phonons frequencies obtained???   BENYAHIA NEZHA
• [Pw_forum] FW: The corresponding WZ mode of the Phonons frequencies obtained???   manchugh at iitk.ac.in
• [Pw_forum] FW: The corresponding WZ mode of the Phonons frequencies obtained???   Lorenzo Paulatto
• [Pw_forum] D3 code (from the PHonon package) output   Éric Germaneau
• [Pw_forum] k-points for optical properties   Paolo Giannozzi
• [Pw_forum] D3 code (from the PHonon package) output   Lorenzo Paulatto
• [Pw_forum] Appliance of ph.x   Paolo Giannozzi
• [Pw_forum] epsilon.x   Halima Zaari
• [Pw_forum] epsilon.x   Layla Martin-Samos
• [Pw_forum] epsilon.x   Halima Zaari
• [Pw_forum] epsilon.x   Paolo Giannozzi
• [Pw_forum] epsilon.x   Julian Gamboa
• [Pw_forum] epsilon.x   Halima Zaari
• [Pw_forum] Phonon dispersion relation K shifted   Luigi Bagolini
• [Pw_forum] (no subject)   B D SAHOO
• [Pw_forum] Possible issue with cp.x, ESSL FFT, and ultrasoft pseudopotentials on Blue Gene/Q   Paolo Giannozzi
• [Pw_forum] Problem with ph.x code after a vc-relax scf run   Paolo Giannozzi
• [Pw_forum] Fwd: ABOUT POINT GROUP OF (Pnma) STRUCTURE   B D SAHOO
• [Pw_forum] phonon frequencies ....   Shyam Khambholja
• [Pw_forum] phonon frequencies ....   xirainbow
• [Pw_forum] supercell   ashkan shekaari
• [Pw_forum] D3 code (from the PHonon package) output   Lorenzo Paulatto
• [Pw_forum] supercell   Paolo Giannozzi
• [Pw_forum] supercell   ashkan shekaari
• [Pw_forum] Fwd: ABOUT POINT GROUP OF (Pnma) STRUCTURE   Paolo Giannozzi
• [Pw_forum] Fwd: ABOUT POINT GROUP OF (Pnma) STRUCTURE   B D SAHOO
• [Pw_forum] XSpectra - tail of the spectrum falling relatively quickly   Yevgen Melikhov
• [Pw_forum] supercell   Pietro Bonfa'
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   siddheshwar chopra
• [Pw_forum] XSpectra - tail of the spectrum falling relatively quickly   Emiliano Burresi
• [Pw_forum] About the absorption spectrum of TDDFT   shuai
• [Pw_forum] phonon modes at high pressure   Shyam Khambholja
• [Pw_forum] electric field and ferromagnetic system   Nossa, Javier
• [Pw_forum] k-points for optical properties   Eduardo Menendez
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   ashkan shekaari
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   siddheshwar chopra
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   ashkan shekaari
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   siddheshwar chopra
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   ashkan shekaari
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   siddheshwar chopra
• [Pw_forum] Transmission calculation for simple metals   Vladislav Borisov
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   Lorenzo Paulatto
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   siddheshwar chopra
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   ashkan shekaari
• [Pw_forum] Relativistic GW calculations   Valentina Cantatore
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   siddheshwar chopra
• [Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??   ashkan shekaari
• [Pw_forum] QE on Xeon Phi : Execution Issue   Nisha Agrawal
• [Pw_forum] Relativistic GW calculations   Paolo Giannozzi
• [Pw_forum] QE on Xeon Phi : Execution Issue   Fabio Affinito
• [Pw_forum] electron phonon coupling --> scattering rate   qe user
• [Pw_forum] fixed magnetization to check stoner criterion   Rene Wirnata
• [Pw_forum] Relativistic GW calculations   Valentina Cantatore
• [Pw_forum] electric field and ferromagnetic system   Paolo Giannozzi
• [Pw_forum] K UPP PBE   Alexander Martins
• [Pw_forum] K UPP PBE   Mehmet Topsakal
• [Pw_forum] K UPP PBE   Alexander Martins
• [Pw_forum] Wannier BandStructure   Tommaso Francese
• [Pw_forum] Wannier BandStructure   Giovanni Pizzi
• [Pw_forum] Matdyn.x Output File formating   Cameron Foss
• [Pw_forum] fixed magnetization to check stoner criterion   Arles V. Gil Rebaza
• [Pw_forum] QE on Xeon Phi : Execution Issue   Nisha Agrawal
• [Pw_forum] Matdyn.x Output File formating   Paolo Giannozzi
• [Pw_forum] How to modify the exchange and correlation potential?   binlinux at outlook.com
• [Pw_forum] How to modify the exchange and correlation potential?   Sclauzero Gabriele
• [Pw_forum] Error in example03 (electron-phonon interaction)   Alexander G. Kvashnin
• [Pw_forum] Error in example03 (electron-phonon interaction)   Paolo Giannozzi
• [Pw_forum] espresso-4.0.3 Compilation Issues   W2AGZ
• [Pw_forum] espresso-4.0.3 Compilation Issues   Axel Kohlmeyer
• [Pw_forum] espresso-4.0.3 Compilation Issues   Paolo Giannozzi
• [Pw_forum] how to increase precision   Khalid Ibne Masood Khalid
• [Pw_forum] running example si example file for band structure - reg.,   Muthu V
• [Pw_forum] how to increase precision   Paolo Giannozzi
• [Pw_forum] Xcrysden 3D-charge plot for missing atoms-Reg   Suresh A
• [Pw_forum] error in optic properties   fataneh bostan afroz
• [Pw_forum] espresso-4.0.3 Compilation Issues   W2AGZ
• [Pw_forum] wannier postw90.x problem   Tommaso Francese
• [Pw_forum] generating PDOS is missing for some atoms   Tonatiuh Rangel Gordillo
• [Pw_forum] Plotbands.x   Tommy
• [Pw_forum] Plotbands.x   Goytia, Michael
• [Pw_forum] xspectra examples in 5.1   Goranka Bilalbegovic
• [Pw_forum] effective masses   Regina Lelis de Sousa
• [Pw_forum] problem with conjugate gradient using CPV   Ravi Kiran
• [Pw_forum] D3 code (from the PHonon package) output   Éric Germaneau
• [Pw_forum] generating PDOS is missing for some atoms   Thomas Brumme
• [Pw_forum] running example si example file for band structure - reg.,   Andrea Dal Corso
• [Pw_forum] phonon calculation with dispersion corrections   H. Lee
• [Pw_forum] Fwd: generating PDOS is missing for some atoms   Tonatiuh Rangel Gordillo
• [Pw_forum] Fwd: generating PDOS is missing for some atoms   Hadi Arefi
• [Pw_forum] Fwd: generating PDOS is missing for some atoms   Tonatiuh Rangel Gordillo
• [Pw_forum] Fwd: generating PDOS is missing for some atoms   Sonu Kumar
• [Pw_forum] fixed magnetization to check stoner criterion   Rene Wirnata
• [Pw_forum] phonon calculation with dispersion corrections   Paolo Giannozzi
• [Pw_forum] How to calculate bulk modulus and eigenvalue gap for an orthorhombic LaFeO3   Boateng Isaac Wiafe
• [Pw_forum] (no subject)   Muhammad Adnan
• [Pw_forum] oxygen transport investigation   Boateng Isaac Wiafe
• [Pw_forum] PAW pseudopotentials   Uri Argaman
• [Pw_forum] ld1.x produce different test results between iswitch=2/3   WF
• [Pw_forum] SaX distribution   Tommy
• [Pw_forum] Visualize STM image with XCrySDen   Li, Run
• [Pw_forum] Error in example03 (electron-phonon interaction)   Alexander G. Kvashnin
• [Pw_forum] SaX distribution   Layla Martin-Samos
• [Pw_forum] About the output of tddft   shuai
• [Pw_forum] error in optic properties   ashkan shekaari
• [Pw_forum] error in optic properties   ashkan shekaari
• [Pw_forum] error in optic properties   ashkan shekaari
• [Pw_forum] error in optic properties   Lorenzo Paulatto
• [Pw_forum] error in optic properties   Lorenzo Paulatto
• [Pw_forum] error in optic properties   Lorenzo Paulatto
• [Pw_forum] PAW pseudopotentials   Nicola Marzari
• [Pw_forum] error in optic properties   ashkan shekaari
• [Pw_forum] error in optic properties   Lorenzo Paulatto
• [Pw_forum] Visualize STM image with XCrySDen   Paolo Giannozzi
• [Pw_forum] ld1.x produce different test results between iswitch=2/3   Paolo Giannozzi
• [Pw_forum] Regarding LA_TA modes   Kondaiah Samudrala
• [Pw_forum] Regarding LA_TA modes   Sonu Kumar
• [Pw_forum] Regarding LA_TA modes   Lorenzo Paulatto
• [Pw_forum] Regarding LA_TA modes   Kondaiah Samudrala
• [Pw_forum] Reg: Meas square displacement   vijaykumar gudelli
• [Pw_forum] Regarding LA_TA modes   Lorenzo Paulatto
• [Pw_forum] error in optic properties   Mutlu COLAKOGULLARI
• [Pw_forum] ld1.x produce different test results between iswitch=2/3   WF

Last message date: Thu Jul 31 13:48:09 CEST 2014
Archived on: Wed Feb 28 11:13:01 CET 2018

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