February 2018 Archives by author

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Starting: Thu Feb 1 09:14:20 CET 2018
Ending: Wed Feb 28 21:10:20 CET 2018
Messages: 205

[Pw_forum] xspectra.x : problems with executing the examples Raji Abdulrafiu
[Pw_forum] 3rd order Interatomic force constant Sohail Ahmad
[Pw_forum] electric field effect on monolayer Sohail Ahmad
[Pw_forum] "Segmentation fault" Error in KDOS Yasser Fowad AlWahedi
[Pw_forum] best/better gpu cards for using with QE Yasser Fowad AlWahedi
[Pw_forum] Total forces of relaxing metallic system decreases then increases gradually Hind Almisbahi
[Pw_forum] Total forces of relaxing metallic system decreases then increases gradually Hind Almisbahi
[Pw_forum] Crash with Environ-0.2 Oliviero Andreussi
[Pw_forum] Plotting phonon dispersion Vahid Askarpour
[Pw_forum] Plotting phonon dispersion Vahid Askarpour
[Pw_forum] Plotting phonon dispersion Vahid Askarpour
[Pw_forum] Confusion on Quasi-Harmonic Approximation calculation Sitangshu Bhattacharya
[Pw_forum] pdos of MoS2 B S Bhushan
[Pw_forum] Phonon computation related problem Anindya Bose
[Pw_forum] Phonon computation related problem Anindya Bose
[Pw_forum] Phonon computation related problem Anindya Bose
[Pw_forum] gipaw in 6.2.1 was Re: gipaw cannot be compiled in QE 6.2 Scott Brozell
[Pw_forum] Unit cell for TMDs Dr. Thomas Brumme
[Pw_forum] pdos of MoS2 Dr. Thomas Brumme
[Pw_forum] Problem in SCF convergence Dr. Thomas Brumme
[Pw_forum] Problem in SCF convergence Thomas Brumme
[Pw_forum] about antiferromagnetic case Mutlu COLAKOGULLARI
[QE-users] 答复: [Pw_forum] PW input ibrav = 0 Giovanni Cantele
[Pw_forum] gipaw in 6.2.1 was Re: gipaw cannot be compiled in QE 6.2 Davide Ceresoli
[Pw_forum] Emax and Emin for DOS and PDOS calculation Madhurya Chandel
[Pw_forum] How to sum pdos from the different pdos file Madhurya Chandel
[Pw_forum] DOS and PODS analysis Madhurya Chandel
[Pw_forum] PW input ibrav = 0 Manjusha Chugh
[Pw_forum] Restart from previous run BARRETEAU Cyrille
[Pw_forum] Geometry optimization RAJIV DOSOWIE
[Pw_forum] converging V_xc in the vacuum Janos Daru
[Pw_forum] Problems computing cholensky William DeBenedetti
[Pw_forum] 答复: PW input ibrav = 0 Pietro Delugas
[Pw_forum] 答复: 答复: PW input ibrav = 0 Pietro Delugas
[QE-users] mailinig list open Pietro Delugas
[Pw_forum] toothed and noisy bands Riemann Derakhshan
[Pw_forum] Problems trying to compile PW using PGI 17.4 compilers Reinaldo Pis Diez
[Pw_forum] Problems trying to compile PW using PGI 17.4 compilers Reinaldo Pis Diez
[Pw_forum] Memory problems with a job using PWSCF from qe-gpu Reinaldo Pis Diez
[Pw_forum] best/better gpu cards for using with QE Reinaldo Pis Diez
[Pw_forum] Phonon computation related problem Yue-Wen Fang
[Pw_forum] calculation of structural phase transition pressure MEGHA GOYAL
[Pw_forum] Unit cell for TMDs Gautam Gaddemane
[Pw_forum] MoS2 valence bands Gautam Gaddemane
[Pw_forum] MoS2 valence bands Gautam Gaddemane
[Pw_forum] Zr supercell with ibrav=0 Paolo Giannozzi
[Pw_forum] Magnetization Density Calculation Paolo Giannozzi
[Pw_forum] Pw_forum Digest, Vol 127, Issue 3 Paolo Giannozzi
[Pw_forum] LDA+U and noncolin lspinorb : hub file not written? Paolo Giannozzi
[Pw_forum] tefield vs lelfield: physics of gated graphene Paolo Giannozzi
[Pw_forum] Hybrid DFT calculations in QE v 6.2 and PAW datasets Paolo Giannozzi
[Pw_forum] LDA+U and noncolin lspinorb : hub file not written? Paolo Giannozzi
[Pw_forum] Restart from previous run Paolo Giannozzi
[Pw_forum] How to set variables when get symmetry operation # N not allowed? Paolo Giannozzi
[Pw_forum] How to set variables when get symmetry operation # N not allowed? Paolo Giannozzi
[Pw_forum] VC-relax with HSE Paolo Giannozzi
[Pw_forum] "Segmentation fault" Error in KDOS Paolo Giannozzi
[Pw_forum] pwcond error: NAN value of transmission Paolo Giannozzi
[Pw_forum] pwcond error: NAN value of transmission Paolo Giannozzi
[Pw_forum] Symmetry operation identification for supercell Paolo Giannozzi
[Pw_forum] gipaw in 6.2.1 was Re: gipaw cannot be compiled in QE 6.2 Paolo Giannozzi
[Pw_forum] Concerning Charge Density File Paolo Giannozzi
[Pw_forum] "Segmentation fault" Error in KDOS Paolo Giannozzi
[Pw_forum] Relaxing 100 slab Paolo Giannozzi
[Pw_forum] LPZ functional in ld1.x Paolo Giannozzi
[Pw_forum] Error: Segmentation fault - invalid memory reference. Paolo Giannozzi
[Pw_forum] Error: Segmentation fault - invalid memory reference. Paolo Giannozzi
[Pw_forum] LPZ functional in ld1.x Paolo Giannozzi
[Pw_forum] Problems computing cholensky Paolo Giannozzi
[Pw_forum] Error: Segmentation fault - invalid memory reference. Paolo Giannozzi
[Pw_forum] Documentation for fd_ef.x Paolo Giannozzi
[Pw_forum] PW input ibrav = 0 Paolo Giannozzi
[Pw_forum] 答复: PW input ibrav = 0 Paolo Giannozzi
[Pw_forum] Problems computing cholensky Paolo Giannozzi
[Pw_forum] Problems computing cholensky Paolo Giannozzi
[QE-users] [Pw_forum] NEB calculation at the Gamma point Paolo Giannozzi
[Pw_forum] How to use pp.x and xcrysden to plot 3d charge density Dan Gil
[Pw_forum] How to use pp.x and xcrysden to plot 3d charge density Dan Gil
[Pw_forum] pp.x charge density output is missing electrons Dan Gil
[Pw_forum] pp.x charge density output is missing electrons Dan Gil
[Pw_forum] Total forces of relaxing metallic system decreases then increases gradually Stefano de Gironcoli
[Pw_forum] La pseudopotential Eleftheria Gkogkosi
[Pw_forum] Restart from previous run Sylwia Golab
[Pw_forum] Restart from previous run Sylwia Golab
[Pw_forum] Lowdin charge interpretation Konrad Gruszka
[Pw_forum] Pw_forum Digest, Vol 127, Issue 3 Yuhit Gupta
[Pw_forum] phonon dispersion by using optimized tetrahedron method Enamul Haque
[Pw_forum] phonon dispersion by using optimized tetrahedron method Enamul Haque
[Pw_forum] phonon dispersion by using optimized tetrahedron method Enamul Haque
[Pw_forum] phonon dispersion by using optimized tetrahedron method Enamul Haque
[Pw_forum] Problems computing cholensky Manu Hegde
[Pw_forum] Install and run PWgui 6.2 using cygwin Nguyễn Trung Hiếu
[Pw_forum] PW input ibrav = 0 Zhou Jianqiang
[Pw_forum] 答复: PW input ibrav = 0 Zhou Jianqiang
[Pw_forum] 答复: PW input ibrav = 0 Zhou Jianqiang
[Pw_forum] 答复: 答复: PW input ibrav = 0 Zhou Jianqiang
[Pw_forum] 答复: 答复: 答复: PW input ibrav = 0 Zhou Jianqiang
[Pw_forum] phonon dispersion by using optimized tetrahedron method Mitsuaki Kawamura
[Pw_forum] phonon dispersion by using optimized tetrahedron method Mitsuaki Kawamura
[Pw_forum] phonon dispersion by using optimized tetrahedron method Mitsuaki Kawamura
[Pw_forum] phonon dispersion by using optimized tetrahedron method Mitsuaki Kawamura
[Pw_forum] Problems computing cholensky Kirk
[Pw_forum] How to set variables when get symmetry operation # N not allowed? Arena Konta
[Pw_forum] How to set variables when get symmetry operation # N not allowed? Arena Konta
[Pw_forum] charge density of KS state in SOC calculation Wei Li
[Pw_forum] vector representation of magnetic moment FARAH MARSUSI
[Pw_forum] Problem in SCF convergence Bibhas Manna
[Pw_forum] Problem in SCF convergence Bibhas Manna
[Pw_forum] Problem in SCF convergence Bibhas Manna
[Pw_forum] disordered local moment (DLM) approach Nicola Marzari
[Pw_forum] Color centers and charge states Nicola Marzari
[Pw_forum] Interpreting starting_ns_eigenvalue in the output Cococcioni Matteo
[Pw_forum] Problem in SCF convergence Cococcioni Matteo
[Pw_forum] relaxing a vacancy in diamond Giuseppe Mattioli
[Pw_forum] HSE calculation stops progressing after convergence Giuseppe Mattioli
[Pw_forum] HSE calculation stops progressing after convergence Giuseppe Mattioli
[Pw_forum] converging V_xc in the vacuum Giuseppe Mattioli
[Pw_forum] Excitation of inorganic materials Giuseppe Mattioli
[Pw_forum] Color centers and charge states Giuseppe Mattioli
[Pw_forum] Relaxing 100 slab Giuseppe Mattioli
[Pw_forum] 3rd order Interatomic force constant : thirdorder.py Prasad Matukumilli
[Pw_forum] Problem regarding identification of space group of Zr15Nb1 cell Michael Mehl
[Pw_forum] Excitation of inorganic materials Amin Mirzai
[Pw_forum] Excitation of inorganic materials Amin Mirzai
[Pw_forum] VC-relax Anik Mondol
[Pw_forum] Error in DOS calculation ( Spin orbit coupling ) Anik Mondol
[Pw_forum] pDOS plot Anik Mondol
[Pw_forum] Fwd: A basic question about occupations in QE output file Shoaib Muhammad
[Pw_forum] Zr supercell with ibrav=0 Krishnendu Mukherjee
[Pw_forum] Zr supercell with ibrav=4 Krishnendu Mukherjee
[Pw_forum] Zr supercell Krishnendu Mukherjee
[Pw_forum] Problem regarding identification of space group of Zr15Nb1 cell Krishnendu Mukherjee
[Pw_forum] Problem regarding identification of space group of Zr15Nb1 cell Krishnendu Mukherjee
[Pw_forum] Zr supercell Krishnendu Mukherjee
[Pw_forum] Symmetry operation identification for supercell Krishnendu Mukherjee
[Pw_forum] The LDA-1/2 method for an unknown band gap material!!!! BENYAHIA NEZHA
[Pw_forum] TR: The LDA-1/2 method for an unknown band gap material!!!! BENYAHIA NEZHA
[Pw_forum] Error: Segmentation fault - invalid memory reference. BENYAHIA NEZHA
[Pw_forum] Error: Segmentation fault - invalid memory reference. BENYAHIA NEZHA
[Pw_forum] Crash with Environ-0.2 Huu Chuong Nguyën
[Pw_forum] Crash with Environ-0.2 Huu Chuong Nguyën
[Pw_forum] Zr supercell with ibrav=0 Marzari Nicola
[Pw_forum] Magnetization Density Calculation Steve Novakov
[Pw_forum] Magnetization Density Calculation Steve Novakov
[Pw_forum] about antiferromagnetic case Steve Novakov
[Pw_forum] PAW charge density written out by pp.x is very high at atomic cores Jan Oliver Oelerich
[Pw_forum] Concerning Charge Density File Hayden Oliver
[Pw_forum] Concerning Charge Density File Hayden Oliver
[Pw_forum] Relaxing 100 slab Giussepi Ali Jhonatan Mamani Paco
[Pw_forum] how to collect dvscf files? Hari Paudyal
[Pw_forum] Restart from previous run Lorenzo Paulatto
[Pw_forum] Emax and Emin for DOS and PDOS calculation Lorenzo Paulatto
[Pw_forum] Phonon computation related problem Lorenzo Paulatto
[Pw_forum] pp.x charge density output is missing electrons Lorenzo Paulatto
[Pw_forum] Plotting phonon dispersion Lorenzo Paulatto
[Pw_forum] Plotting phonon dispersion Lorenzo Paulatto
[Pw_forum] Plotting phonon dispersion Lorenzo Paulatto
[Pw_forum] MoS2 valence bands Lorenzo Paulatto
[Pw_forum] Documentation for fd_ef.x Lorenzo Paulatto
[Pw_forum] Documentation for fd_ef.x Lorenzo Paulatto
[Pw_forum] how to collect dvscf files? Lorenzo Paulatto
[Pw_forum] 答复: PW input ibrav = 0 Lorenzo Paulatto
[QE-users] 答复: [Pw_forum] PW input ibrav = 0 Lorenzo Paulatto
[QE-users] 答复: [Pw_forum] PW input ibrav = 0 Lorenzo Paulatto
[Pw_forum] How to use pp.x and xcrysden to plot 3d charge density Matic Poberznik
[Pw_forum] disordered local moment (DLM) approach Masoud Rahbarniazi
[Pw_forum] Relaxing 100 slab Dr. Jawwad Saif
[Pw_forum] Interpreting starting_ns_eigenvalue in the output Kayahan Saritas
[Pw_forum] HSE calculation stops progressing after convergence Shoaib
[Pw_forum] Problems computing cholensky Laurens Siemons
[Pw_forum] Problems computing cholensky Laurens Siemons
[Pw_forum] tempp shoot up problem in CP Amar Singh
[Pw_forum] Frequency of Noose thermostat Amar Singh
[Pw_forum] calculating atoms oxidation states Daniel Stoeffler
[Pw_forum] Documentation for fd_ef.x Andrew Supka
[Pw_forum] Documentation for fd_ef.x Andrew Supka
[Pw_forum] relaxing a vacancy in diamond Nandan Tandon
[Pw_forum] relaxing a vacancy in diamond Nandan Tandon
[Pw_forum] Set constant velocity for an atom Nam Tran
[Pw_forum] How to sum pdos from the different pdos file Saif Ullah
[Pw_forum] Plotting phonon dispersion Saif Ullah
[Pw_forum] Documentation for fd_ef.x Robert Wexler
[Pw_forum] Documentation for fd_ef.x Robert Wexler
[Pw_forum] LDA+U and noncolin lspinorb : hub file not written? Christoph Wolf
[Pw_forum] tefield vs lelfield: physics of gated graphene Christoph Wolf
[Pw_forum] LDA+U and noncolin lspinorb : hub file not written? Christoph Wolf
[Pw_forum] Color centers and charge states Christoph Wolf
[Pw_forum] Color centers and charge states Christoph Wolf
[Pw_forum] Zr supercell Mostafa Youssef
[Pw_forum] Problems computing cholensky Mostafa Youssef
[Pw_forum] pwcond error: NAN value of transmission Tianji Zhou
[Pw_forum] Plotting phonon dispersion elchatz at auth.gr
[Pw_forum] Plotting phonon dispersion elchatz at auth.gr
[Pw_forum] Plotting phonon dispersion elchatz at auth.gr
[Pw_forum] Plotting phonon dispersion elchatz at auth.gr
[Pw_forum] LPZ functional in ld1.x elchatz at auth.gr
[Pw_forum] LPZ functional in ld1.x elchatz at auth.gr
[Pw_forum] Problems computing cholensky elchatz at auth.gr
[Pw_forum] (no subject) wilsun7 at gmail.com
[Pw_forum] Relaxing 100 slab plug at infim.ro
[Pw_forum] Relaxing 100 slab plug at infim.ro
[Pw_forum] calculating atoms oxidation states pboulet
[Pw_forum] calculating atoms oxidation states pboulet
[Pw_forum] Need to know technical computational details to find optical properties of any material (Semiconductor) Jagdish verma
[Pw_forum] pwcond error: NAN value of transmission zhout2

Last message date: Wed Feb 28 21:10:20 CET 2018
Archived on: Wed Feb 28 21:10:49 CET 2018

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