October 2016 Archives by thread

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Starting: Sat Oct 1 09:40:33 CEST 2016
Ending: Mon Oct 31 22:02:13 CET 2016
Messages: 236

• [Pw_forum] second call: A problem in calculating x phonons   Mamindla Ramesh
• [Pw_forum] HSE+MD in QE   jiayu dai
• [Pw_forum] documentations or references of (UPF) PAW potentials   Ryky Nelson
  • [Pw_forum] documentations or references of (UPF) PAW potentials   Andrea Dal Corso
    • [Pw_forum] documentations or references of (UPF) PAW potentials   Ryky Nelson
      • [Pw_forum] documentations or references of (UPF) PAW potentials   Andrea Dal Corso
      • [Pw_forum] documentations or references of (UPF) PAW potentials   Ryky Nelson
• [Pw_forum] Projwfc.x for fatbands   Matthieu Fortin-Deschênes
• [Pw_forum] Skutterudite   Taiwo Oginni
• [Pw_forum] regarding convergence of system   Amita Sihag
  • [Pw_forum] regarding convergence of system   Pascal Boulet
  • [Pw_forum] regarding convergence of system   Amita Sihag
    • [Pw_forum] regarding convergence of system   Amita Sihag
• [Pw_forum] Environ failed with graphene   Oliviero Andreussi
  • [Pw_forum] Environ failed with graphene   Rolly Ng
    • [Pw_forum] Environ failed with graphene   Oliviero Andreussi
      • [Pw_forum] Environ failed with graphene   Paolo Giannozzi
• [Pw_forum] Version 6.0 of Quantum ESPRESSO is available for download   Filippo SPIGA
• [Pw_forum] Parallel execution   Kanak Datta
  • [Pw_forum] Parallel execution   Manu Hegde
  • [Pw_forum] Parallel execution   Axel Kohlmeyer
  • [Pw_forum] Parallel Execution   Kanak Datta
• [Pw_forum] DFT study on effects of nano-particles, tube & rods in efficiency of solar cells   Mukhtar
• [Pw_forum] Quantum ESPRESSO @ Exabyte.io   Timur Bazhirov
  • [Pw_forum] Quantum ESPRESSO @ Exabyte.io   Rolly Ng
  • [Pw_forum] Quantum ESPRESSO @ Exabyte.io   Suza W
  • [Pw_forum] Quantum ESPRESSO @ Exabyte.io   Timur Bazhirov
• [Pw_forum] (no subject)   Kanak Datta
  • [Pw_forum] (no subject)   stefano de gironcoli
    • [Pw_forum] (no subject)   Axel Kohlmeyer
• [Pw_forum] Simulation ends at forces greater than forc_conv_thr   quantum
  • [Pw_forum] Simulation ends at forces greater than forc_conv_thr   Giovanni Cantele
  • [Pw_forum] Simulation ends at forces greater than forc_conv_thr   Muhammad Adnan Saqlain
• [Pw_forum] Help in cif file atomic positions   Krishnaiah Kallamadi
  • [Pw_forum] Help in cif file atomic positions   Andrius Merkys
  • [Pw_forum] Help in cif file atomic positions   Krishnaiah Kallamadi
    • [Pw_forum] Help in cif file atomic positions   Manuel Pérez Jigato
    • [Pw_forum] Help in cif file atomic positions   Krishnaiah Kallamadi
    • [Pw_forum] Help in cif file atomic positions   Michael Mehl
    • [Pw_forum] Help in cif file atomic positions   Krishnaiah Kallamadi
      • [Pw_forum] Help in cif file atomic positions   Mohammed Khalafalla
• [Pw_forum] improper rotation in the non-collinear case in EXX routine   H. Lee
• [Pw_forum] QE output about stress and pressure   quantum
  • [Pw_forum] QE output about stress and pressure   stefano de gironcoli
    • [Pw_forum] QE output about stress and pressure   Tsung-Lung Li
      • [Pw_forum] QE output about stress and pressure   stefano de gironcoli
• [Pw_forum] how about iflag=0   毛飞
• [Pw_forum] Releasing New Version (1.1) of BURAI   nisihara225 at gmail.com
• [Pw_forum] PWgui NEB.x input generation error   Afshin Arjangmehr
  • [Pw_forum] PWgui NEB.x input generation error   Tone Kokalj
    • [Pw_forum] PWgui NEB.x input generation error   Afshin Arjangmehr
• [Pw_forum] Van der Waals interactions   Eliya Asmani
  • [Pw_forum] Van der Waals interactions   ashkan shekaari
• [Pw_forum] Where can I find notes on new espresso versions?   Dae Kwang Jun
  • [Pw_forum] Where can I find notes on new espresso versions?   Paolo Giannozzi
• [Pw_forum] Convergence of LaCoO3   Amita Sihag
  • [Pw_forum] Convergence of LaCoO3   stefano de gironcoli
• [Pw_forum] yambo installation   Mansoureh Pashangpour
  • [Pw_forum] yambo installation   Federico Iori
    • [Pw_forum] yambo installation   Mansoureh Pashangpour
      • [Pw_forum] yambo installation   Mansoureh Pashangpour
• [Pw_forum] using quantum espresso by study of semiconductor Ta3N5   Marcelo Castañeda
• [Pw_forum] SCAN functional   Neven Golenić
  • [Pw_forum] SCAN functional   Paolo Giannozzi
• [Pw_forum] missing tutorials   yelena
  • [Pw_forum] missing tutorials   Nicola Marzari
  • [Pw_forum] missing tutorials   Filippo Spiga
  • [Pw_forum] missing tutorials   Prasenjit Ghosh
• [Pw_forum] Problem in electron pDOS calculation   Ranasinghe, Jayangani
  • [Pw_forum] Problem in electron pDOS calculation   Paolo Giannozzi
  • [Pw_forum] Problem in electron pDOS calculation   Manu Hegde
• [Pw_forum] Error in phonon calculation   Ranasinghe, Jayangani
  • [Pw_forum] Error in phonon calculation   Mohammed Ghadiyali
• [Pw_forum] WanT installation   Mansoureh Pashangpour
  • [Pw_forum] WanT installation   Andrea Ferretti
    • [Pw_forum] WanT installation   mansourehp at gmail.com
• [Pw_forum] Local density of states in momentum space with pwscf   Kondaiah Samudrala
• [Pw_forum] Rep: WanT installation   Suresh A
  • [Pw_forum] Rep: WanT installation   mansourehp at gmail.com
• [Pw_forum] Input ibrav not compatible with space group number   Tsung-Lung Li
  • [Pw_forum] Input ibrav not compatible with space group number   Paolo Giannozzi
    • [Pw_forum] Input ibrav not compatible with space group number   Tsung-Lung Li
• [Pw_forum] view vibrational mode with j-ice   alberto
  • [Pw_forum] view vibrational mode with j-ice   Bahadır SALMANKURT
• [Pw_forum] Estimate time for relaxing bigger unit cells?   Rojas Solorzano, Tomas
  • [Pw_forum] Estimate time for relaxing bigger unit cells?   dario rocca
• [Pw_forum] Averaging over momentum k   adurajski at wip.pcz.pl
• [Pw_forum] Question about vc-relax   Joshua Young
  • [Pw_forum] Question about vc-relax   Anand Chandra
• [Pw_forum] About atomic states.   robert.guzman
• [Pw_forum] Problem in parallel execution   Afshin Arjangmehr
  • [Pw_forum] Problem in parallel execution   Paolo Giannozzi
    • [Pw_forum] Problem in parallel execution   Afshin Arjangmehr
• [Pw_forum] wrong number of symmetries!   Li Mingkai
  • [Pw_forum] wrong number of symmetries!   Li Mingkai
    • [Pw_forum] wrong number of symmetries!   Amer Hamzaoui
  • [Pw_forum] wrong number of symmetries!   Paolo Giannozzi
    • [Pw_forum] wrong number of symmetries!   Paolo Giannozzi
      • [Pw_forum] wrong number of symmetries!   Li Mingkai
• [Pw_forum] cp.x output with cppp.x not showing correct atom type?   Rolly Ng
  • [Pw_forum] cp.x output with cppp.x not showing correct atom type?   Rolly Ng
• [Pw_forum] vdw interaction and pseudopotentials   Zara Nosh
  • [Pw_forum] Fwd: vdw interaction and pseudopotentials   Zara Nosh
  • [Pw_forum] vdw interaction and pseudopotentials   Lorenzo Paulatto
• [Pw_forum] NVT simulations using cp.x   Zeeshan Ahmad
• [Pw_forum] Cannot allocate FFT   GAO Zhe
• [Pw_forum] -Image error   Alwaleed Ahmed Adllan ahmed Abusin
  • [Pw_forum] -Image error   Nicola Marzari
• [Pw_forum] Doubts in U (Hubbard parameter) calculation   Phanikumar Pentyala
  • [Pw_forum] Doubts in U (Hubbard parameter) calculation   Ifeanyi John ONUORAH
• [Pw_forum] vc-relax problem   Manu Hegde
• [Pw_forum] van der walls forces and pseudo-potentials   Zara Nosh
• [Pw_forum] rebuilding ONCV PPs with PP_PSWFC for projwfc.x   Christoph Wolf(신소재공학과)
  • [Pw_forum] rebuilding ONCV PPs with PP_PSWFC for projwfc.x   Paolo Giannozzi
  • [Pw_forum] rebuilding ONCV PPs with PP_PSWFC for projwfc.x   Lorenzo Paulatto
• [Pw_forum] vc-relax   Aa Bb
  • [Pw_forum] vc-relax   Amer Hamzaoui
• [Pw_forum] substitution of positive charge into a negative charge.   Winfred Mulwa
  • [Pw_forum] substitution of positive charge into a negative charge.   Mostafa Youssef
    • [Pw_forum] substitution of positive charge into a negative charge.   Winfred Mulwa
• [Pw_forum] PhD and Postdoctoral Positions: Dynamics of Condensed Matter   Thomas Kühne
• [Pw_forum] error during vc-relaxation   Himani Mishra
• [Pw_forum] The error when use xcrysden and run pw.x for PdxTaSe2   Oanh Nguyen
  • [Pw_forum] The error when use xcrysden and run pw.x for PdxTaSe2   Duc-Long Nguyen
• [Pw_forum] a convergency problem   Yi Wang
• [Pw_forum] multiple ph.x runs with same outdir   Sridhar Sadasivam
• [Pw_forum] DOS with HSE   Muhammad Adnan Saqlain
  • [Pw_forum] DOS with HSE   Ary Junior
• [Pw_forum] HSE functional problem   paresh rout
  • [Pw_forum] HSE functional problem   Federico Iori
    • [Pw_forum] HSE functional problem   paresh rout
      • [Pw_forum] HSE functional problem   Federico Iori
      • [Pw_forum] HSE functional problem   paresh rout
• [Pw_forum] Ge.pz-hgh.UPF   Gabriel Greene
  • [Pw_forum] Ge.pz-hgh.UPF   Ari P Seitsonen
    • [Pw_forum] Ge.pz-hgh.UPF   Gabriel Greene
      • [Pw_forum] Ge.pz-hgh.UPF   Gabriel Greene
      • [Pw_forum] Ge.pz-hgh.UPF   Paolo Giannozzi
• [Pw_forum] Phonon frequency: nat_todo option   Vikan Manmathan
  • [Pw_forum] Phonon frequency: nat_todo option   stefano de gironcoli
    • [Pw_forum] Phonon frequency: nat_todo option   Vikan Manmathan
• [Pw_forum] Ni/Graphene interaction   Sugata Chowdhury
• [Pw_forum] Quantum Espresso GW Help   Kanak Datta
• [Pw_forum] Bug report: Spin-polarized hybrid functional calculations using the Gamma-point only option   Hosung Seo
• [Pw_forum] Assigning Hubbard potential to f orbitals   Mohammed Khalafalla
  • [Pw_forum] Assigning Hubbard potential to f orbitals   Matteo Cococcioni
    • [Pw_forum] Assigning Hubbard potential to f orbitals   Mohammed Khalafalla
• [Pw_forum] Error during QHA calculations   adurajski at wip.pcz.pl
• [Pw_forum] Error while installing   Anuja Chanana
  • [Pw_forum] Error while installing   Paolo Giannozzi
• [Pw_forum] query about qexml.f90   Kim, Minjung
  • [Pw_forum] query about qexml.f90   Paolo Giannozzi
• [Pw_forum] The errors from IOTK library   Oanh Nguyen
  • [Pw_forum] The errors from IOTK library   Pietro Delugas
    • [Pw_forum] The errors from IOTK library   Oanh Nguyen
      • [Pw_forum] The errors from IOTK library   Pietro Delugas
      • [Pw_forum] The errors from IOTK library   Oanh Nguyen
      • [Pw_forum] The errors from IOTK library   Nguyen Chuong
• [Pw_forum] Gathering an array scattered on nodes   Vahid Askarpour
• [Pw_forum] qe-6.0 test suite   Divya Bohra - TNW
  • [Pw_forum] qe-6.0 test suite   Paolo Giannozzi
• [Pw_forum] Errors with structure optimization   Oanh Nguyen
  • [Pw_forum] Errors with structure optimization   stefano de gironcoli
    • [Pw_forum] Errors with structure optimization   Oanh Nguyen
• [Pw_forum] oxygen gas cif file   Winfred Mulwa
  • [Pw_forum] oxygen gas cif file   Giovanni Cantele
    • [Pw_forum] oxygen gas cif file   Winfred Mulwa
• [Pw_forum] Different Raman configurations   jiaxu yan
• [Pw_forum] Charge of a supercell with a vacancy   David Foster
  • [Pw_forum] Charge of a supercell with a vacancy   Mostafa Youssef
  • [Pw_forum] Charge of a supercell with a vacancy   David Foster
• [Pw_forum] vc-relax for B-N-C cannot be truely converged   Lei Cao
• [Pw_forum] Fw: metadyn.c error   Eong Sheng Goh
• [Pw_forum] two different pseudopotential in a relax calculation   Neha Bothra
• [Pw_forum] Default color for xcrysden isosurface   Mostafa Youssef
  • [Pw_forum] Default color for xcrysden isosurface   Mostafa Youssef
• [Pw_forum] QE 6.0 major include changes?   Downs, Andrew S CTR USARMY ARL (US)
  • [Pw_forum] QE 6.0 major include changes?   Paolo Giannozzi
    • [Pw_forum] QE 6.0 major include changes?   Filippo SPIGA
• [Pw_forum] Regarding energy calculation in solvent medium   Rameswar Bhattacharjee
  • [Pw_forum] Regarding energy calculation in solvent medium   Oliviero Andreussi
• [Pw_forum] About ld1.x   robert.guzman
  • [Pw_forum] About ld1.x   Paolo Giannozzi
  • [Pw_forum] About ld1.x   Andrea Dal Corso
• [Pw_forum] QE 6.0 intel compile 'open socket' error   Downs, Andrew S CTR USARMY ARL (US)
  • [Pw_forum] QE 6.0 intel compile 'open socket' error   Paolo Giannozzi
    • [Pw_forum] [Non-DoD Source] Re: QE 6.0 intel compile 'open socket' error   Downs, Andrew S CTR USARMY ARL (US)
      • [Pw_forum] [Non-DoD Source] Re: QE 6.0 intel compile 'open socket' error   Paolo Giannozzi
      • [Pw_forum] [Non-DoD Source] Re: QE 6.0 intel compile 'open socket' error   Downs, Andrew S CTR USARMY ARL (US)
      • [Pw_forum] [Non-DoD Source] Re: QE 6.0 intel compile 'open socket' error   Filippo Spiga
• [Pw_forum] qe-6.0 consistent errors when testing   Fabricio Cannini
  • [Pw_forum] qe-6.0 consistent errors when testing   Paolo Giannozzi
• [Pw_forum] ERROR dexx is negative   Eduardo Menendez
  • [Pw_forum] ERROR dexx is negative   Paolo Giannozzi
  • [Pw_forum] ERROR dexx is negative   Eduardo Menendez
• [Pw_forum] How to generate core excited pseudopotentials   Karim Elgammal
• [Pw_forum] LSDA calculation with Hybrid functional   Rita Maji
  • [Pw_forum] LSDA calculation with Hybrid functional   Lorenzo Paulatto
    • [Pw_forum] LSDA calculation with Hybrid functional   Rita Maji
      • [Pw_forum] LSDA calculation with Hybrid functional   Lorenzo Paulatto
      • [Pw_forum] LSDA calculation with Hybrid functional   Rita Maji
      • [Pw_forum] LSDA calculation with Hybrid functional   Rita Maji
• [Pw_forum] Error related to "radial FFT during vc-relax" calculations   Sai Phani
  • [Pw_forum] Error related to "radial FFT during vc-relax" calculations   stefano de gironcoli
• [Pw_forum] Charge on individual atom   Amita Sihag
  • [Pw_forum] Charge on individual atom   Giuseppe Mattioli
• [Pw_forum] Stability   systechno at yahoo.com
• [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Vahid Askarpour
  • [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Ye Luo
    • [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Vahid Askarpour
      • [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Ye Luo
      • [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Vahid Askarpour
      • [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Ye Luo
      • [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Vahid Askarpour
      • [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Ye Luo
      • [Pw_forum] Gathering 3-d arrays across pools using QE's mp_sum   Vahid Askarpour
• [Pw_forum] structure stability   systechno at yahoo.com
• [Pw_forum] The coordinate of X-point in GaAs band structure calculation   evan
  • [Pw_forum] The coordinate of X-point in GaAs band structure calculation   Andrew Supka
  • [Pw_forum] The coordinate of X-point in GaAs band structure calculation   stefano de gironcoli
    • [Pw_forum] The coordinate of X-point in GaAs band structure calculation   evan
      • [Pw_forum] The coordinate of X-point in GaAs band structure calculation   Stefano de Gironcoli
      • [Pw_forum] The coordinate of X-point in GaAs band structure calculation   evan
      • [Pw_forum] The coordinate of X-point in GaAs band structure calculation   stefano de gironcoli
• [Pw_forum] Cell Relaxation   ali.kamrani91 at yahoo.com
  • [Pw_forum] Cell Relaxation   Matthieu Fortin-Deschênes
• [Pw_forum] ev.x issue on recent QE release   Dr. K. C. Bhamu
  • [Pw_forum] ev.x issue on recent QE release   Paolo Giannozzi
    • [Pw_forum] ev.x issue on recent QE release   Amer Hamzaoui
• [Pw_forum] How to solve the "wrong ngm" error in allocate_fft() that shows up only in parallel mode?   GAO Zhe
• [Pw_forum] Unexpected Termination of ph.x job   Yin Li
  • [Pw_forum] Unexpected Termination of ph.x job   Paolo Giannozzi
• [Pw_forum] convergence of local magnetic moment   ilahi asma
• [Pw_forum] Proposal to establish a liaison office in Brussels representing the QE community to attract EU funding   Gabriele Mogni
• [Pw_forum] WanT   ashkan shekaari
  • [Pw_forum] WanT   Andrea Ferretti

Last message date: Mon Oct 31 22:02:13 CET 2016
Archived on: Wed Feb 28 11:16:20 CET 2018

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