October 2017 Archives by thread

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Starting: Sun Oct 1 07:09:11 CEST 2017
Ending: Tue Oct 31 21:27:32 CET 2017
Messages: 297

• [Pw_forum] HELP !!! How to know the DOS out file right or wrong ?!   Nga Do
  • [Pw_forum] HELP !!! How to know the DOS out file right or wrong ?!   Manu Hegde
  • [Pw_forum] HELP !!! How to know the DOS out file right or wrong ?!   Duy Le
    • [Pw_forum] HELP !!! How to know the DOS out file right or wrong ?!   Nga Do
      • [Pw_forum] HELP !!! How to know the DOS out file right or wrong ?!   Duy Le
      • [Pw_forum] HELP !!! How to know the DOS out file right or wrong ?!   Nga Do
      • [Pw_forum] HELP !!! How to know the DOS out file right or wrong ?!   Duy Le
• [Pw_forum] How can vc-relax nanosheet that will fall apart or would be bulk?   Duy Le
• [Pw_forum] grid phonon calculation at non-gamma point cannot reach convergence   yuan liang
  • [Pw_forum] grid phonon calculation at non-gamma point cannot reach convergence   Isaiah Moses
• [Pw_forum] symmetries during a vc-relax   JAY Antoine
  • [Pw_forum] symmetries during a vc-relax   Paolo Giannozzi
    • [Pw_forum] symmetries during a vc-relax--> Non zero values in celldm !!   JAY Antoine
      • [Pw_forum] symmetries during a vc-relax--> Non zero values in celldm !!   Paolo Giannozzi
• [Pw_forum] error runnin module pw4gww.x   alberto
• [Pw_forum] hard and smooth reciprocal space grid   Jacopo Simoni
• [Pw_forum] Doubt related to projwfc_nc   saurabh parmar
• [Pw_forum] Activate properties option in xcrysden to check structural parameters   Madhurya Chandel
• [Pw_forum] F centers in QE   Amar Singh
• [Pw_forum] Homo/Lumo plot   Ubaid Mohd
• [Pw_forum] Bad energetic of Li adsorbed graphene by DFT-D2 using QE   Saif Ullah
  • [Pw_forum] Bad energetic of Li adsorbed graphene by DFT-D2 using QE   Saif Ullah
    • [Pw_forum] Bad energetic of Li adsorbed graphene by DFT-D2 using QE   Ari P Seitsonen
      • [Pw_forum] Bad energetic of Li adsorbed graphene by DFT-D2 using QE   Saif Ullah
• [Pw_forum] Forces acting on atoms   Sergi Vela
  • [Pw_forum] Forces acting on atoms   Lorenzo Paulatto
• [Pw_forum] vdW interaction in case of bilayers   Sohail Ahmad
• [Pw_forum] starting magnetization in nitrogen doped graphene   B S Bhushan
  • [Pw_forum] starting magnetization in nitrogen doped graphene   Jibiao Li
    • [Pw_forum] starting magnetization in nitrogen doped graphene   B S Bhushan
      • [Pw_forum] starting magnetization in nitrogen doped graphene   Jibiao Li
      • [Pw_forum] starting magnetization in nitrogen doped graphene   B S Bhushan
• [Pw_forum] Permanent position as an „HPC-specialist“   Thomas Kühne
• [Pw_forum] version.f90 not found durin installation of qe-6.2   José Carlos Conesa
  • [Pw_forum] version.f90 not found durin installation of qe-6.2   Paolo Giannozzi
    • [Pw_forum] version.f90 not found durin installation of qe-6.2   José Carlos Conesa
      • [Pw_forum] version.f90 not found durin installation of qe-6.2   Paolo Giannozzi
      • [Pw_forum] version.f90 not found durin installation of qe-6.2   José C. Conesa
      • [Pw_forum] version.f90 not found durin installation of qe-6.2   Paolo Giannozzi
      • [Pw_forum] version.f90 not found durin installation of qe-6.2   José Carlos Conesa
• [Pw_forum] Run QE with space_group and "ATOMIC_POSITIONS crystal_sg"   Tsung-Lung Li
  • [Pw_forum] Run QE with space_group and "ATOMIC_POSITIONS crystal_sg"   Paolo Giannozzi
    • [Pw_forum] Run QE with space_group and "ATOMIC_POSITIONS crystal_sg"   Ricardo Afonso
      • [Pw_forum] Run QE with space_group and "ATOMIC_POSITIONS crystal_sg"   Paolo Giannozzi
      • [Pw_forum] Run QE with space_group and "ATOMIC_POSITIONS crystal_sg"   Ricardo Afonso
      • [Pw_forum] Run QE with space_group and "ATOMIC_POSITIONS crystal_sg"   Ilya Ryabinkin
• [Pw_forum] Parallelism   Pascal Boulet
• [Pw_forum] phosphorene monolayer   Gautam Gaddemane
  • [Pw_forum] phosphorene monolayer   Matthieu Fortin-Deschênes
    • [Pw_forum] phosphorene monolayer   Gautam Gaddemane
      • [Pw_forum] phosphorene monolayer   dario rocca
      • [Pw_forum] phosphorene monolayer   Gautam Gaddemane
      • [Pw_forum] phosphorene monolayer   Gautam Gaddemane
  • [Pw_forum] phosphorene monolayer   Vahid Askarpour
    • [Pw_forum] phosphorene monolayer   Gautam Gaddemane
      • [Pw_forum] phosphorene monolayer   Vahid Askarpour
      • [Pw_forum] phosphorene monolayer   dario rocca
      • [Pw_forum] phosphorene monolayer   Gautam Gaddemane
• [Pw_forum] result of phonon GRID_example 3 is not consistent with the reference   balabi
  • [Pw_forum] result of phonon GRID_example 3 is not consistent with the reference   balabi
  • [Pw_forum] result of phonon GRID_example 3 is not consistent with the reference   balabi
• [Pw_forum] wannier center from midpoint.out   Nayana Devaraj
• [Pw_forum] Difficult to reach final path in NEB calculation   Jibiao Li
• [Pw_forum] How to choose ecutwfc value?   Saif Ullah
  • [Pw_forum] How to choose ecutwfc value?   Nicola Marzari
    • [Pw_forum] How to choose ecutwfc value?   Nicola Marzari
• [Pw_forum] Fwd: wannier center from midpoint.out   Nayana Devaraj
• [Pw_forum] Phonons: Parallelisation over the representations   JAY Antoine
  • [Pw_forum] Phonons: Parallelisation over the representations   Lorenzo Paulatto
    • [Pw_forum] Phonons: Parallelisation over the representations   JAY Antoine
  • [Pw_forum] Phonons: Parallelisation over the representations   balabi
• [Pw_forum] Installation of QE on Ubuntu/VirtualBox   Amar Singh
  • [Pw_forum] Installation of QE on Ubuntu/VirtualBox   Lorenzo Paulatto
• [Pw_forum] Regarding QE calculations in server   Phanikumar Pentyala
• [Pw_forum] bands.x for non continuous k path   balabi
• [Pw_forum] (no subject)   Nayana Devaraj
  • [Pw_forum] (no subject)   Nayana Devaraj
• [Pw_forum] How to run and plot DOS in qe-6.1   Sudha Priyanka
  • [Pw_forum] How to run and plot DOS in qe-6.1   Manu Hegde
    • [Pw_forum] How to run and plot DOS in qe-6.1   Sudha Priyanka
    • [Pw_forum] How to run and plot DOS in qe-6.1   Sudha Priyanka
      • [Pw_forum] How to run and plot DOS in qe-6.1   Ubaid Mohd
• [Pw_forum] Supercell with sides not parallel to lattice vectors   Amar Singh
• [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation   Davide Ceresoli
  • [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation   Ary Junior
    • [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation   Jia Chen
    • [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation   Davide Ceresoli
      • [Pw_forum] scattering of rigidly shifted atomic potentials   Artur Durajski
  • [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation   H. Lee
  • [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation   Jia Chen
    • [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation   Davide Ceresoli
  • [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation   Davide Ceresoli
• [Pw_forum] NEB calculation error "You must init before find_unit"   Jibiao Li
• [Pw_forum] plotting bandstructure   Gautam Gaddemane
  • [Pw_forum] plotting bandstructure   Manu Hegde
    • [Pw_forum] plotting bandstructure   Gautam Gaddemane
• [Pw_forum] Scf calculation on single node or multiple nodes   alberto
• [Pw_forum] Big Bugs in PDOS calculations for Quantum Espresso 5.1   Jibiao Li
  • [Pw_forum] Big Bugs in PDOS calculations for Quantum Espresso 5.1   Pascal Boulet
    • [Pw_forum] Big Bugs in PDOS calculations for Quantum Espresso 5.1   Thomas Brumme
    • [Pw_forum] Big Bugs in PDOS calculations for Quantum Espresso5.1   Jibiao Li
      • [Pw_forum] Big Bugs in PDOS calculations for Quantum Espresso5.1   Marzari Nicola
      • [Pw_forum] Big Bugs in PDOS calculations for Quantum Espresso5.1   Jibiao Li
      • [Pw_forum] Big Bugs in PDOS calculations for Quantum Espresso5.1   Dr. Thomas Brumme
• [Pw_forum] How to calculate the entropy by QE   LEUNG Clarence
• [Pw_forum] V_xc correction   Manoar Hossain
  • [Pw_forum] Lanczos in Phonons to test the dynamical stability   JAY Antoine
    • [Pw_forum] Lanczos in Phonons to test the dynamical stability   Lorenzo Paulatto
      • [Pw_forum] Lanczos in Phonons to test the dynamical stability   JAY Antoine
• [Pw_forum] conversion of case.dyn.xml file to case.dyn file   VineetKumar Pandey
• [Pw_forum] please fix bug of third example in phonon GRID_example for latest version QE   巴拉比
  • [Pw_forum] please fix bug of third example in phonon GRID_example for latest version QE   Paolo Giannozzi
• [Pw_forum] error running module pw4gww.x   alberto
• [Pw_forum] How to plot charge density distribution in QE 6.1   Sudha Priyanka
• [Pw_forum] Xcrysden_error   Sudha Priyanka
  • [Pw_forum] Xcrysden_error   Matic Poberznik
• [Pw_forum] Error undefined reference to `MPI_Comm_f2c'   Rajesh
• [Pw_forum] Oxidation on oxygen terminated h- Boron nitride nano sheet   Narendranath Ghosh
• [Pw_forum] error # 1 no scalar fft driver specified   Rajesh
  • [Pw_forum] error # 1 no scalar fft driver specified   Paolo Giannozzi
    • [Pw_forum] error # 1 no scalar fft driver specified   Rajesh
      • [Pw_forum] error # 1 no scalar fft driver specified   Lorenzo Paulatto
      • [Pw_forum] error # 1 no scalar fft driver specified   Rajesh
      • [Pw_forum] error # 1 no scalar fft driver specified   Anik Mondol
      • [Pw_forum] Buildin a nanowire crystal structure. Was: error # 1 no scalar fft driver specified   Lorenzo Paulatto
      • [Pw_forum] error # 1 no scalar fft driver specified   Lorenzo Paulatto
      • [Pw_forum] error # 1 no scalar fft driver specified   Rajesh
      • [Pw_forum] error # 1 no scalar fft driver specified   Rajesh
• [Pw_forum] problem with final scf calculation with vc-relax   Leonid Kahle
  • [Pw_forum] problem with final scf calculation with vc-relax   Ilya Ryabinkin
    • [Pw_forum] problem with final scf calculation with vc-relax   Leonid Kahle
• [Pw_forum] Fw: Supercell with sides not parallel to lattice vectors   Amar Singh
• [Pw_forum] wannier_new.f90   nazari at iasbs.ac.ir
  • [Pw_forum] wannier_new.f90   Dmitry Korotin
    • [Pw_forum] wannier_new.f90   nazari at iasbs.ac.ir
      • [Pw_forum] wannier_new.f90   Dmitry Korotin
• [Pw_forum] Regarding the mean amplitude of the atomic vibration of a crystal   mohaddeseh abbasnejad
• [Pw_forum] Regarding dispersion interaction   mohaddeseh abbasnejad
• [Pw_forum] Regarding zero point energy   mohaddeseh abbasnejad
  • [Pw_forum] Regarding zero point energy   mohaddeseh abbasnejad
• [Pw_forum] tetrahedra and vc-relax   chiara.ricca at dcb.unibe.ch
  • [Pw_forum] tetrahedra and vc-relax   Mitsuaki Kawamura
  • [Pw_forum] tetrahedra and vc-relax   Giuseppe Mattioli
    • [Pw_forum] tetrahedra and vc-relax   chiara.ricca at dcb.unibe.ch
      • [Pw_forum] tetrahedra and vc-relax   Giuseppe Mattioli
• [Pw_forum] rVV10 vdW functionals   Azadi, Sam
  • [Pw_forum] rVV10 vdW functionals   Jess Wellendorff
    • [Pw_forum] rVV10 vdW functionals   Azadi, Sam
      • [Pw_forum] rVV10 vdW functionals   Giuseppe Mattioli
• [Pw_forum] fftw3.f file not found   Rajesh
• [Pw_forum] HELP...!!!!!!   PRATIK DAS
• [Pw_forum] QE stuck at Starting wfc are random   Rajesh
• [Pw_forum] vc-relax   Ibrahim Yahaya Muhammad
  • [Pw_forum] vc-relax   Giuseppe Mattioli
  • [Pw_forum] vc-relax   Ibrahim Yahaya Muhammad
    • [Pw_forum] vc-relax   Giuseppe Mattioli
• [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1   Bogdan Yavorskyy
  • [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1   Bogdan Yavorskyy
    • [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1   Paolo Giannozzi
      • [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1   Ronald Cohen
      • [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1   Paolo Giannozzi
      • [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1   Ronald Cohen
      • [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1   Ronald Cohen
• [Pw_forum] NaN for atomic coordinates in NEB path (nudged elastic path calculation)   Maxim Skripnik
  • [Pw_forum] NaN for atomic coordinates in NEB path (nudged elastic path calculation)   Paolo Giannozzi
    • [Pw_forum] NaN for atomic coordinates in NEB path (nudged elastic path calculation)   Maxim Skripnik
• [Pw_forum] Ta NC pseudopotential   Aaron Jung
• [Pw_forum] Supercell Creation of a 1D system   Anik Mondol
• [Pw_forum] heating and cooling vc-md   Jalil Mahdizadeh
  • [Pw_forum] heating and cooling vc-md   Jalil Mahdizadeh
    • [Pw_forum] heating and cooling vc-md   Axel Kohlmeyer
      • [Pw_forum] heating and cooling vc-md   Jalil Mahdizadeh
      • [Pw_forum] heating and cooling vc-md   Axel Kohlmeyer
      • [Pw_forum] heating and cooling vc-md   Jalil Mahdizadeh
      • [Pw_forum] heating and cooling vc-md   Axel Kohlmeyer
      • [Pw_forum] heating and cooling vc-md   Jalil Mahdizadeh
      • [Pw_forum] heating and cooling vc-md   Axel Kohlmeyer
      • [Pw_forum] heating and cooling vc-md   Jalil Mahdizadeh
• [Pw_forum] Chiral nanotubes   Mukhtar Lawal Adam
• [Pw_forum] convergence not achieved after 100 iteration for 24 atom cluster   project way
  • [Pw_forum] convergence not achieved after 100 iteration for 24 atom cluster   Giuseppe Mattioli
• [Pw_forum] Infinity total energy ?   Nam Tran
• [Pw_forum] wannier function fo WanT code   Mansoureh Pashangpour
• [Pw_forum] Selection of K point for band structure calculation   Madhurya Chandel
  • [Pw_forum] Selection of K point for band structure calculation   Saif Ullah
    • [Pw_forum] Selection of K point for band structure calculation   Lorenzo Paulatto
      • [Pw_forum] Selection of K point for band structure calculation   Madhurya Chandel
      • [Pw_forum] Selection of K point for band structure calculation   Saif Ullah
      • [Pw_forum] Selection of K point for band structure calculation   Lorenzo Paulatto
• [Pw_forum] For optimization of a structure using relax calculation   Madhurya Chandel
  • [Pw_forum] For optimization of a structure using relax calculation   Giuseppe Mattioli
    • [Pw_forum] For optimization of a structure using relax calculation   Madhurya Chandel
      • [Pw_forum] For optimization of a structure using relax calculation   Giuseppe Mattioli
• [Pw_forum] Error optmizing doped graphene   B S Bhushan
  • [Pw_forum] Error optmizing doped graphene   Jalil Mahdizadeh
  • [Pw_forum] Error optmizing doped graphene   Dr. K. C. Bhamu
    • [Pw_forum] Error optmizing doped graphene   B S Bhushan
  • [Pw_forum] Error optmizing doped graphene   Giuseppe Mattioli
    • [Pw_forum] Error optmizing doped graphene   Jalil Mahdizadeh
      • [Pw_forum] Error optmizing doped graphene   Giuseppe Mattioli
      • [Pw_forum] Error optmizing doped graphene   B S Bhushan
  • [Pw_forum] Error optmizing doped graphene   Lorenzo Paulatto
    • [Pw_forum] Error optmizing doped graphene   B S Bhushan
      • [Pw_forum] Error optmizing doped graphene   Lorenzo/Eric Paulatto
      • [Pw_forum] Error optmizing doped graphene   Giuseppe Mattioli
      • [Pw_forum] Error optmizing doped graphene   B S Bhushan
      • [Pw_forum] Error optmizing doped graphene   B S Bhushan
      • [Pw_forum] Error optmizing doped graphene   B S Bhushan
      • [Pw_forum] Error optmizing doped graphene   Giuseppe Mattioli
      • [Pw_forum] Error optmizing doped graphene   B S Bhushan
      • [Pw_forum] Error optmizing doped graphene   Paolo Giannozzi
      • [Pw_forum] Error optmizing doped graphene   B S Bhushan
• [Pw_forum] [pw_forum] SCF calculation with external magnetic field   Maria Tassi
  • [Pw_forum] [pw_forum] SCF calculation with external magnetic field   Ary Junior
    • [Pw_forum] [pw_forum] SCF calculation with external magnetic field   Nicola Marzari
      • [Pw_forum] [pw_forum] SCF calculation with external magnetic field   Lorenzo Paulatto
  • [Pw_forum] [pw_forum] SCF calculation with external magnetic field   Pulkit Garg
• [Pw_forum] Why the POSITION card ignored in my NEB calculation   jibiaoli
  • [Pw_forum] Why the POSITION card ignored in my NEB calculation   Paolo Giannozzi
• [Pw_forum] Which PPs should be used for vdW-df calculation?   Saif Ullah
• [Pw_forum] Charge Plot   Sudha Priyanka
  • [Pw_forum] Charge Plot   Ubaid Mohd
    • [Pw_forum] Charge Plot   Ubaid Mohd
  • [Pw_forum] Charge Plot   Paolo Giannozzi
• [Pw_forum] question   Alireza Rezvani
  • [Pw_forum] question   Giuseppe Mattioli
    • [Pw_forum] question   Lorenzo Paulatto
• [Pw_forum] Advt: Postdoc position in the area of Computational Heterogeneous Catalysis   Prasenjit Ghosh
• [Pw_forum] how to model the effect of pressure on atomic volumes of Mg and Ti   Alireza Rezvani
  • [Pw_forum] how to model the effect of pressure on atomic volumes of Mg and Ti   Giuseppe Mattioli
• [Pw_forum] rVV10 Functional   Ibrahim Yahaya Muhammad
  • [Pw_forum] rVV10 Functional   Giuseppe Mattioli
• [Pw_forum] How to use vdW-df in QE?   Saif Ullah
  • [Pw_forum] How to use vdW-df in QE?   Paolo Giannozzi
  • [Pw_forum] How to use vdW-df in QE?   Karim Elgammal
    • [Pw_forum] How to use vdW-df in QE?   Saif Ullah
• [Pw_forum] Exfoliation Energy   Ibrahim Yahaya Muhammad
• [Pw_forum] Quantum ESPRESSO v.6.2   Paolo Giannozzi
  • [Pw_forum] Quantum ESPRESSO v.6.2   Suza W
  • [Pw_forum] gipaw cannot be compiled in QE 6.2   José Carlos Conesa
    • [Pw_forum] gipaw cannot be compiled in QE 6.2   Davide Ceresoli
      • [Pw_forum] gipaw cannot be compiled in QE 6.2   MEGHA GOYAL
  • [Pw_forum] SternheimerGW cannot be installed in QE 6.2   José Carlos Conesa
    • [Pw_forum] SternheimerGW cannot be installed in QE 6.2   Lorenzo Paulatto
• [Pw_forum] New QE paper   Paolo Giannozzi
• [Pw_forum] Introduction of screw dislocation into bcc ferrite   Krishnendu Mukherjee
  • [Pw_forum] Introduction of screw dislocation into bcc ferrite   =?utf-8?B?0JrRg9C30L3QtdGG0L7QsiDQkC7QoA==?=.
• [Pw_forum] Can I visualize the spin?   Andrey Chibisov
  • [Pw_forum] Can I visualize the spin?   Lorenzo Paulatto
    • [Pw_forum] Can I visualize the spin?   Andrey Chibisov
• [Pw_forum] Problem in understanding the Phonon vibrational modes at gamma point   barnali bhattacharya
• [Pw_forum] Contracting cell volume for supercell in vc-relax   Amar Singh
  • [Pw_forum] Contracting cell volume for supercell in vc-relax   Amar Singh
• [Pw_forum] Phonon calculations failed to converge   jibiaoli
  • [Pw_forum] Phonon calculations failed to converge   Rita Maji
    • [Pw_forum] Phonon calculations failed to converge   Som Narayan
• [Pw_forum] projwfc.x crashes for large cases   Martin Gmitra
  • [Pw_forum] projwfc.x crashes for large cases   Karim Elgammal
  • [Pw_forum] projwfc.x crashes for large cases   Paolo Giannozzi
• [Pw_forum] High Entropy Alloys   Ubaid Mohd
  • [Pw_forum] High Entropy Alloys   Lorenzo Paulatto
    • [Pw_forum] High Entropy Alloys   Ubaid Mohd
      • [Pw_forum] High Entropy Alloys   Lorenzo Paulatto
• [Pw_forum] Checking of error   MEGHA GOYAL
• [Pw_forum] S matrix not positive definite   Krishnendu Mukherjee
  • [Pw_forum] S matrix not positive definite   MEGHA GOYAL
• [Pw_forum] Query   Anindya Bose
• [Pw_forum] Van der Waals interactions   Eleftheria Gkogkosi
  • [Pw_forum] Van der Waals interactions   Saif Ullah
    • [Pw_forum] Van der Waals interactions   Paolo Giannozzi
• [Pw_forum] Seeking your kind help in running pw2wannier90.x (v.5.1)   Bibhas Manna
• [Pw_forum] Fw: Contracting cell volume for supercell in vc-relax   Amar Singh
  • [Pw_forum] Fw: Contracting cell volume for supercell in vc-relax   Ari P Seitsonen
• [Pw_forum] Tutorial at QESB2009   毛飞
  • [Pw_forum] Tutorial at QESB2009   Nicola Marzari
    • [Pw_forum] Tutorial at QESB2009   毛飞
• [Pw_forum] How to calculate Mean Square Displacement (MSD)   Nam Tran
  • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Pascal Boulet
  • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Lorenzo Paulatto
    • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Nam Tran
      • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Marzari Nicola
      • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Lorenzo Paulatto
      • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Marzari Nicola
      • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Ari P Seitsonen
      • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Paolo Giannozzi
  • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Vahid Askarpour
    • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Nam Tran
      • [Pw_forum] How to calculate Mean Square Displacement (MSD)   Vahid Askarpour
• [Pw_forum] Fwd: Error in final scf calculation using vc-relax   Malte Sachs
  • [Pw_forum] Fwd: Error in final scf calculation using vc-relax   Paolo Giannozzi
    • [Pw_forum] Fwd: Error in final scf calculation using vc-relax   Malte Sachs
• [Pw_forum] Relax - Killed   Nkosinathi Malaza
  • [Pw_forum] Relax - Killed   Giuseppe Mattioli
• [Pw_forum] Phonon calulcation with nonlocal vdW correction by version 6.2. 'Error in routine openfilq (1): file **.wfc not found'   黄志硕
  • [Pw_forum] Phonon calulcation with nonlocal vdW correction by version 6.2. 'Error in routine openfilq (1): file **.wfc not found'   黄志硕
• [Pw_forum] Phonon frequencies could not converge of ENCUT by version 5.2.   黄志硕
• [Pw_forum] solve_linter: root not converged in Phonon Calculation   yuan liang

Last message date: Tue Oct 31 21:27:32 CET 2017
Archived on: Wed Feb 28 11:16:25 CET 2018

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