December 2014 Archives by subject

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Starting: Mon Dec 1 01:37:38 CET 2014
Ending: Wed Dec 31 18:18:11 CET 2014
Messages: 179

• [Pw_forum] 'd' state pdos for Al   Sai Kumar Ramadugu
• [Pw_forum] 'd' state pdos for Al   Paolo Giannozzi
• [Pw_forum] 'd' state pdos for Al   Sai Kumar Ramadugu
• [Pw_forum] 'd' state pdos for Al   Paolo Giannozzi
• [Pw_forum] (no subject)   bomdyan mohamed
• [Pw_forum] [Q-e-developers] Not able to subscribe the mailing list   Axel Kohlmeyer
• [Pw_forum] about BFGS error   Bipul Rakshit
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Mutlu COLAKOGULLARI
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Carlo Nervi
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Andrea Dal Corso
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Paolo Giannozzi
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Carlo Nervi
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Mutlu COLAKOGULLARI
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Andrea Dal Corso
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Mutlu COLAKOGULLARI
• [Pw_forum] about C2/c point group symmetry of a monoclinic lattice.   Carlo Nervi
• [Pw_forum] about GGA+U calculation   Bipul Rakshit
• [Pw_forum] about GGA+U calculation   Sanjeev Gupta
• [Pw_forum] about GGA+U calculation   Paolo Giannozzi
• [Pw_forum] about GGA+U calculation   Prasenjit Ghosh
• [Pw_forum] about GGA+U calculation   Bipul Rakshit
• [Pw_forum] about GGA+U calculation   Surender
• [Pw_forum] about GGA+U calculation   Mutlu COLAKOGULLARI
• [Pw_forum] About SOC pesudopotentialsfor W   刘慧美
• [Pw_forum] About spin orbit calculation   robert.guzman
• [Pw_forum] About spin orbit calculation   Gabriele Sclauzero
• [Pw_forum] About spin orbit calculation   Andrea Dal Corso
• [Pw_forum] accuracy of stress determination of vc-relax   Uri Argaman
• [Pw_forum] accuracy of stress determination of vc-relax   Paolo Giannozzi
• [Pw_forum] accuracy of stress determination of vc-relax   Uri Argaman
• [Pw_forum] bands.x namelist error   GaoPeng
• [Pw_forum] Bands calculation for Silica   Francesco Pelizza
• [Pw_forum] Bands calculation for Silica   Paolo Giannozzi
• [Pw_forum] Bands calculation for Silica   Francesco Pelizza
• [Pw_forum] Basis sets (plane wave)   Sadegh Ghaderzadeh
• [Pw_forum] Basis sets (plane wave)   Axel Kohlmeyer
• [Pw_forum] Basis sets (plane wave)   Sadegh Ghaderzadeh
• [Pw_forum] Basis sets (plane wave)   Robert Hembree
• [Pw_forum] Basis sets (plane wave)   Sadegh Ghaderzadeh
• [Pw_forum] Basis sets (plane wave)   Surender Pratap
• [Pw_forum] Berry phase in wave function   pourya at flex.phys.tohoku.ac.jp
• [Pw_forum] Berry phase in wave function   Mojtaba Mirseraji
• [Pw_forum] Calculation of Mössbauer Isomer shift   Hidembergue Ordozgoith da Frota
• [Pw_forum] Calculation of Mössbauer Isomer shift   Davide Ceresoli
• [Pw_forum] Calculation of Mössbauer Isomer shift   Hidembergue Ordozgoith da Frota
• [Pw_forum] can't write data in output file with hybrid functional   toufik esssakhri
• [Pw_forum] charge density difference plots between two strained structures   Rajdeep Banerjee
• [Pw_forum] charge density difference plots between two strained structures   Paolo Giannozzi
• [Pw_forum] charge density difference plots between two strained structures (Paolo Giannozzi)   Rajdeep Banerjee
• [Pw_forum] Computing Vacuum potential   Elliot Menkah
• [Pw_forum] Computing Vacuum potential   Giuseppe Mattioli
• [Pw_forum] Computing Vacuum potential   Elliot Menkah
• [Pw_forum] diagonalization (ZHEGV*) failed during ph calculation   Peng Tao
• [Pw_forum] different results between version 5.0.3 and 5.1.1   Siew Hui Yeo
• [Pw_forum] different results between version 5.0.3 and 5.1.1   Paolo Giannozzi
• [Pw_forum] epsilon.x   Mansoureh Pashangpour
• [Pw_forum] error occured   BhattMahesh Datt
• [Pw_forum] error opening xml data file   k.manzoorolajdad
• [Pw_forum] Finding mathematical approach to effect of center of symmetry on polarization   Mojtaba Mirseraji
• [Pw_forum] Frequency vibration at gamma point from dynmat.x and q2r.x + matdyn.x   loc duong ding
• [Pw_forum] FW:ar_ma86 at libero.it j   ar_ma86
• [Pw_forum] Fw: diagonalization (ZHEGV*) failed when calculating raman intensity   Peng Tao
• [Pw_forum] Fwd: about BFGS error   Bipul Rakshit
• [Pw_forum] how can I read fildv (variational scf potential) after phonon calculation?   Jing Wang
• [Pw_forum] How does PDOS projection define xyz directions   Sai Kumar Ramadugu
• [Pw_forum] How to find the energy of the particular bond for all the nstep = 3000 in one go   YousafMasood
• [Pw_forum] How to find the energy of the particular bond for all the nstep = 3000 in one go   Axel Kohlmeyer
• [Pw_forum] how to get the examples which mentioned in the user_guide.pdf ?   于海林
• [Pw_forum] how to get the examples which mentioned in the user_guide.pdf ?   robert hembree
• [Pw_forum] How to read the output of pp.x?   Jing Wang
• [Pw_forum] How to read the output of pp.x?   xiaochuan Ge
• [Pw_forum] How to read the output of pp.x?   Jing Wang
• [Pw_forum] How to read the output of pp.x?   Paolo Giannozzi
• [Pw_forum] How to read the output of pp.x?   Jing Wang
• [Pw_forum] How to read the output of pp.x?   xiaochuan Ge
• [Pw_forum] How to read the output of pp.x?   Jing Wang
• [Pw_forum] How to read the output of pp.x?   xiaochuan Ge
• [Pw_forum] How to read the output of pp.x?   Jing Wang
• [Pw_forum] How to run my scf calculation for Si as given example in tutorial?   BhattMahesh Datt
• [Pw_forum] How to run my scf calculation for Si as given example in tutorial?   Bramha Pandey
• [Pw_forum] lelfield=.true. with USPP , PAW and non-orthorhombic cells   Mostafa Youssef
• [Pw_forum] Modelling   Santhosh Ragan
• [Pw_forum] NaN forces in DFT+U calculation on Cray XE machine.   Mehmet Topsakal
• [Pw_forum] Negative starting charge for Zr USPP   Mostafa Youssef
• [Pw_forum] Number of atoms in LaFeO3 unit cell   Boateng Isaac Wiafe
• [Pw_forum] Number of atoms in LaFeO3 unit cell   Chan-Woo Lee
• [Pw_forum] Original Symmetry Operations Not Satisfied   Sai Kumar Ramadugu
• [Pw_forum] Original Symmetry Operations Not Satisfied   Giuseppe Mattioli
• [Pw_forum] Original Symmetry Operations Not Satisfied   Sai Kumar Ramadugu
• [Pw_forum] Original Symmetry Operations Not Satisfied   Giuseppe Mattioli
• [Pw_forum] parallel version for Windows   David Foster
• [Pw_forum] parallel version for Windows   Axel Kohlmeyer
• [Pw_forum] Phonon Calculation Trouble   宋志达
• [Pw_forum] Post doc position at Indian Institute of Science Education and Research, Pune, India   Prasenjit Ghosh
• [Pw_forum] pp.x - error in routine chdens   Mohamad Moadeli
• [Pw_forum] Problems with neb.x   Joshua Davis
• [Pw_forum] Problems with neb.x   Muhammad Adnan
• [Pw_forum] Procedure for Predicting the Intermediate Products using NEB   YousafMasood
• [Pw_forum] Pseudopotential for Raman spectra   Saied Md Pratik
• [Pw_forum] pw4gww input help   Valentina Cantatore
• [Pw_forum] Pwcond error   raha khalili
• [Pw_forum] Pwcond error   Gabriele Sclauzero
• [Pw_forum] Pwcond error   raha khalili
• [Pw_forum] Pwcond error   Alex Smogunov
• [Pw_forum] Pwcond error   raha khalili
• [Pw_forum] QE-GPU   yelena
• [Pw_forum] QE-GPU   Filippo Spiga
• [Pw_forum] QE-GPU compiling   Mohamad Moadeli
• [Pw_forum] QE-GPU compiling   Filippo Spiga
• [Pw_forum] QE-GPU compiling   Mohamad Moadeli
• [Pw_forum] QE-GPU compiling   Filippo Spiga
• [Pw_forum] QE in parallel mode   Masoud Shahrokhi
• [Pw_forum] QE in parallel mode   Paolo Giannozzi
• [Pw_forum] QE in parallel mode   Masoud Shahrokhi
• [Pw_forum] quantum espresso -windows   杨顶峰
• [Pw_forum] quantum espresso -windows   Axel Kohlmeyer
• [Pw_forum] quantum espresso -windows   xiaochuan Ge
• [Pw_forum] Quantum espresso versions 5.1 and 5.1.1   Arpita Paul
• [Pw_forum] Regarding convergence in NEB calculation   Rameswar Bhattacharjee
• [Pw_forum] Regarding convergence in NEB calculation   Rameswar Bhattacharjee
• [Pw_forum] Regarding K-PATH for PWSCF reciprocal vectors   Kondaiah Samudrala
• [Pw_forum] Regarding Quantum Espresso   Surender Pratap
• [Pw_forum] Regarding Quantum Espresso   Yantao Wu
• [Pw_forum] Regarding Quantum Espresso   Surender Pratap
• [Pw_forum] Restarting on the geometry only   Pascal BOULET
• [Pw_forum] Restarting on the geometry only   Paolo Giannozzi
• [Pw_forum] Running ph on Windows   Payam Norouzzadeh
• [Pw_forum] Running ph on Windows   Paolo Giannozzi
• [Pw_forum] scissor shift   fataneh bostan afroz
• [Pw_forum] scissor shift   fataneh bostan afroz
• [Pw_forum] scissor shift   Giuseppe Mattioli
• [Pw_forum] Silicon(111) surface   Saleem Ayaz
• [Pw_forum] Slab optimization with -24kbar stress!!!   David Foster
• [Pw_forum] Slab optimization with -24kbar stress!!!   Nicola Marzari
• [Pw_forum] Slab optimization with -24kbar stress!!!   Paolo Giannozzi
• [Pw_forum] Slab optimization with -24kbar stress!!!   David Foster
• [Pw_forum] Slab optimization with -24kbar stress!!!   Nicola Marzari
• [Pw_forum] Slab optimization with -24kbar stress!!!   BARRETEAU Cyrille
• [Pw_forum] Slab optimization with -24kbar stress!!!   David Foster
• [Pw_forum] Slab optimization with -24kbar stress!!!   BARRETEAU Cyrille
• [Pw_forum] Slab optimization with -24kbar stress!!!   Nicola Marzari
• [Pw_forum] Slab optimization with -24kbar stress!!!   Serge Nakhmanson
• [Pw_forum] Slab optimization with -24kbar stress!!!   David Foster
• [Pw_forum] Slab optimization with -24kbar stress!!!   Serge Nakhmanson
• [Pw_forum] Slab optimization with -24kbar stress!!!   David Foster
• [Pw_forum] software and web engineer positions, EPFL   Nicola Marzari
• [Pw_forum] stress calculation for 2-D materials in quantum espresso   Rajdeep Banerjee
• [Pw_forum] sumps error # 3   Tommaso Francese
• [Pw_forum] sumps error # 3   Paolo Giannozzi
• [Pw_forum] the high symmetry line of BCT phonon dispersion band structures   Kondaiah Samudrala
• [Pw_forum] the high symmetry line of BCT phonon dispersion band structures   Paolo Giannozzi
• [Pw_forum] the high symmetry line of BCT phonon dispersion band structures   Kondaiah Samudrala
• [Pw_forum] the high symmetry line of BCT phonon dispersion band structures   Ari P Seitsonen
• [Pw_forum] the high symmetry line of BCT phonon dispersion band structures   Kondaiah Samudrala
• [Pw_forum] the high symmetry line of BCT phonon dispersion band structures   Reza Behjatmanesh-Ardakani
• [Pw_forum] Thermo for ibrav=6 (tetragonal cell)   Suza W
• [Pw_forum] Vacuum Potential error   Elliot Menkah
• [Pw_forum] vc-relax of arsenate doped gypsum   Shaofeng Wang
• [Pw_forum] vc-relax of arsenate doped gypsum   Nicola Marzari
• [Pw_forum] vc_relax   Samin, Adib J.
• [Pw_forum] WEIGHT OF Q POINTS IN PHONON CALCULATION   Umesh Roy
• [Pw_forum] wf_collect - question - reg.,   Muthu V
• [Pw_forum] What is wrong in input file: control?   BhattMahesh Datt
• [Pw_forum] What is wrong in input file: control?   Florian Altvater
• [Pw_forum] What is wrong in input file: control?   Ajit Kumar Jena
• [Pw_forum] What is wrong in input file: control?   Giovanni Cantele
• [Pw_forum] What is wrong in input file: control?   Florian Altvater
• [Pw_forum] What is wrong in input file: control?   amitharani
• [Pw_forum] What is wrong in input file: control?   ashkan shekaari
• [Pw_forum] What is wrong in input file: control?   Paolo Giannozzi
• [Pw_forum] What is wrong in input file: control?   siddheshwar chopra
• [Pw_forum] Where are the eigenvector of phonon calculation?   Jing Wang
• [Pw_forum] Where are the eigenvector of phonon calculation?   plgong
• [Pw_forum] Why I could not run SCF calculations for Be in Quantum Espresso?   BhattMahesh Datt
• [Pw_forum] Why I could not run SCF calculations for Be in Quantum Espresso?   Claudio Antonio Perottoni
• [Pw_forum] work function   Mohamad Moadeli
• [Pw_forum] xspectra examples in 5.1   Sai Kumar Ramadugu
• [Pw_forum] xspectra examples in 5.1   Goranka Bilalbegovic
• [Pw_forum] xspectra examples in 5.1   Paolo Giannozzi

Last message date: Wed Dec 31 18:18:11 CET 2014
Archived on: Wed Feb 28 11:13:03 CET 2018

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