November 2017 Archives by subject

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Starting: Wed Nov 1 09:57:01 CET 2017
Ending: Thu Nov 30 19:33:03 CET 2017
Messages: 243

• [Pw_forum] (no subject)   wilsun7 at gmail.com
• [Pw_forum] *spam*Re: Physical meaning of two imaginary phonon frequencies at NEB saddle point and Transition State Theory   degironc
• [Pw_forum] 2018 CCMS Summer Institute at Lawrence Livermore National Laboratory   TuanAnh Pham
• [Pw_forum] [Q-e-developers] New QE paper   Paolo Giannozzi
• [Pw_forum] about Tc calculation   surender at iitk.ac.in
• [Pw_forum] about Tc calculation   surender at iitk.ac.in
• [Pw_forum] about Tc calculation   Thomas Brumme
• [Pw_forum] ACE EXX calculations   Malte Sachs
• [Pw_forum] ACE EXX calculations   Paolo Giannozzi
• [Pw_forum] Alterntive of Makov-Payne correction for noncubic systems   Amar Singh
• [Pw_forum] Alterntive of Makov-Payne correction for noncubic systems   Oliviero Andreussi
• [Pw_forum] BUG in NEB calculations with tefield=true   Maxim Skripnik
• [Pw_forum] BUG in NEB calculations with tefield=true   Lorenzo Paulatto
• [Pw_forum] BUG in NEB calculations with tefield=true   Maxim Skripnik
• [Pw_forum] BUG in NEB calculations with tefield=true   Paolo Giannozzi
• [Pw_forum] BUG in NEB calculations with tefield=true   Paolo Giannozzi
• [Pw_forum] BUG in NEB calculations with tefield=true   Lorenzo Paulatto
• [Pw_forum] BUG in NEB calculations with tefield=true   Paolo Giannozzi
• [Pw_forum] BUG in NEB calculations with tefield=true   Maxim Skripnik
• [Pw_forum] bug report : bands.x deals A equais H for brav=4   balabi
• [Pw_forum] bug report : bands.x deals A equais H for brav=4   Lorenzo Paulatto
• [Pw_forum] bug report : bands.x deals A equais H for brav=4   balabi
• [Pw_forum] bug report : bands.x deals A equais H for brav=4   Paolo Giannozzi
• [Pw_forum] bug report : bands.x deals A equais H for brav=4   balabi
• [Pw_forum] Calculation of ground state energy   Krishnendu Mukherjee
• [Pw_forum] Calculation of ground state energy   Lorenzo Paulatto
• [Pw_forum] Calculation of Helmholtz free energy at a finite temperature   Krishnendu Mukherjee
• [Pw_forum] Calculation of vibrational free energy through Quantum Espresso   Krishnendu Mukherjee
• [Pw_forum] Calculation of vibrational free energy through Quantum Espresso   Lorenzo Paulatto
• [Pw_forum] Calculations stopped without printing any error   Saif Ullah
• [Pw_forum] Calculations stopped without printing any error   Saif Ullah
• [Pw_forum] Computer Specification for running QE   Krishnendu Mukherjee
• [Pw_forum] Computer Specification for running QE   Nicola Marzari
• [Pw_forum] Computer Specification for running QE   Yasser Fowad AlWahedi
• [Pw_forum] Computer Specification for running QE   Yasser Fowad AlWahedi
• [Pw_forum] Computer Specification for running QE   Karim Elgammal
• [Pw_forum] Computer Specification for running QE   Giuseppe Mattioli
• [Pw_forum] Computer Specification for running QE   Paolo Giannozzi
• [Pw_forum] Computer Specification for running QE   Nicola Marzari
• [Pw_forum] Computer Specification for running QE   Giuseppe Mattioli
• [Pw_forum] Constrained magnetization calculations on doped cell will not converge   Jeffrey Mullen
• [Pw_forum] Constrained magnetization calculations on doped cell will not converge   Paolo Giannozzi
• [Pw_forum] Constrained magnetization calculations on doped cell will not converge   Jeffrey Mullen
• [Pw_forum] convergence problem in scf calculation in rare earth oxide Sm2O3   Mohammed Khalafalla
• [Pw_forum] convergence problem in scf calculation in rare earth oxide Sm2O3   Karim Elgammal
• [Pw_forum] convergence problem in scf calculation in rare earth oxide Sm2O3   Ari P Seitsonen
• [Pw_forum] convergence problem in scf calculation in rare earth oxide Sm2O3   Mohammed Khalafalla
• [Pw_forum] convergence problem in scf calculation in rare earth oxide Sm2O3   Thomas Brumme
• [Pw_forum] convergence problem in scf calculation in rare earth oxide Sm2O3   Mohammed Khalafalla
• [Pw_forum] convergence problem in scf calculation in rare earth oxide Sm2O3   Thomas Brumme
• [Pw_forum] Convergence test, vc-relax calculation   Anik Mondol
• [Pw_forum] Convergence test, vc-relax calculation   Ari P Seitsonen
• [Pw_forum] Convergence test, vc-relax calculation   Anik Mondol
• [Pw_forum] Convert a Quantum espresso DOS file into Vasp DOSCAR file   Ubaid Mohd
• [Pw_forum] cppp.x not working with intel compiler   Zeeshan Ahmad
• [Pw_forum] cppp.x not working with intel compiler   Paolo Giannozzi
• [Pw_forum] dipole-dipole interaction   Diego Hunt
• [Pw_forum] dos.x : segmentation fault occurred   B S Bhushan
• [Pw_forum] dos.x : segmentation fault occurred   Andrea Ferretti
• [Pw_forum] dos.x : segmentation fault occurred   Vahid Askarpour
• [Pw_forum] dos.x : segmentation fault occurred   B S Bhushan
• [Pw_forum] dos.x : segmentation fault occurred   B S Bhushan
• [Pw_forum] dos.x : segmentation fault occurred   Lorenzo Paulatto
• [Pw_forum] dos.x : segmentation fault occurred   Andrea Ferretti
• [Pw_forum] dos.x : segmentation fault occurred   B S Bhushan
• [Pw_forum] dos.x : segmentation fault occurred   Lorenzo Paulatto
• [Pw_forum] dos.x : segmentation fault occurred   B S Bhushan
• [Pw_forum] dos.x : segmentation fault occurred   B S Bhushan
• [Pw_forum] dos.x : segmentation fault occurred   Andrea Ferretti
• [Pw_forum] dos.x : segmentation fault occurred   B S Bhushan
• [Pw_forum] dos.x issues   Wilbert James Futalan
• [Pw_forum] dos.x issues   Paolo Giannozzi
• [Pw_forum] dos.x issues   Wilbert James Futalan
• [Pw_forum] dos.x issues   Paolo Giannozzi
• [Pw_forum] dos.x issues   Wilbert James Futalan
• [Pw_forum] dos.x issues   Andrea Ferretti
• [Pw_forum] ERROR dexx is negative in noncollinear hybrid functional calculation   Debdipto Acharya
• [Pw_forum] ERROR dexx is negative in noncollinear hybrid functional calculation   Debdipto Acharya
• [Pw_forum] ERROR dexx is negative in noncollinear hybrid functional calculation   Paolo Giannozzi
• [Pw_forum] error in phonon calculation with SCAN functional   Claudio Perottoni
• [Pw_forum] Error in routine frc_blk (1): wrong total_weight   Gautam Gaddemane
• [Pw_forum] Error in routine frc_blk (1): wrong total_weight   Lorenzo Paulatto
• [Pw_forum] Error in routine frc_blk (1): wrong total_weight   Paolo Giannozzi
• [Pw_forum] Error in routine frc_blk (1): wrong total_weight   Gautam Gaddemane
• [Pw_forum] Error in routine sym_rho_init_shell (4): lone vector   Manoar Hossain
• [Pw_forum] Error in running pdos calculations   Ubaid Mohd
• [Pw_forum] Error in running pdos calculations   Saif Ullah
• [Pw_forum] Error in running pdos calculations   Ubaid Mohd
• [Pw_forum] Error while running VASP 5.4.1 with wannier90-1.2   pachineela rambabu
• [Pw_forum] Error while running VASP 5.4.1 with wannier90-1.2   Giuseppe Mattioli
• [Pw_forum] Error while running VASP 5.4.1 with wannier90-1.2   Ari P Seitsonen
• [Pw_forum] Error while running VASP 5.4.1 with wannier90-1.2   pachineela rambabu
• [Pw_forum] Error while running VASP 5.4.1 with wannier90-1.2   Ari P Seitsonen
• [Pw_forum] estimated scf accuracy   Krishnendu Mukherjee
• [Pw_forum] estimated scf accuracy   Paolo Giannozzi
• [Pw_forum] Fwd: Optimized tetrahedron method El-Ph Calculation Error   Isaiah Moses
• [Pw_forum] Fwd: Problem with tetrahedra method for calculations DOS   Yedu Kondalu
• [Pw_forum] how can I making nano ribbon   ali mehdizadeh
• [Pw_forum] how can I making nano ribbon   robert.guzman
• [Pw_forum] how to calculate binding energy of NaBiO3   Sudha Priyanka
• [Pw_forum] how to calculate binding energy of NaBiO3   Saif Ullah
• [Pw_forum] how to calculate binding energy of NaBiO3   Rajesh
• [Pw_forum] how to calculate binding energy of NaBiO3   Saif Ullah
• [Pw_forum] how to calculate binding energy of NaBiO3   Rajesh
• [Pw_forum] how to calculate binding energy of NaBiO3   Saif Ullah
• [Pw_forum] How to constrain the magnetization along z-axis   Jinsen Han
• [Pw_forum] How to constrain the magnetization along z-axis   Jeffrey Mullen
• [Pw_forum] How to include pressure dependence in quantum espresso   KAPIL MANDAL
• [Pw_forum] How to include pressure dependence in quantum espresso   Arles V. Gil Rebaza
• [Pw_forum] How to include pressure dependence in quantum espresso   KAPIL MANDAL
• [Pw_forum] Huge imaginary and positive frequencies   Cameron Foss
• [Pw_forum] Huge imaginary and positive frequencies   Lorenzo Paulatto
• [Pw_forum] Input file for bcc-iron (ferrite) using PWgui-6.2   Krishnendu Mukherjee
• [Pw_forum] interview with Paolo Giannozzi   Nicola Marzari
• [Pw_forum] Is ndiag effective in scf process?   balabi
• [Pw_forum] Is ndiag effective in scf process?   Paolo Giannozzi
• [Pw_forum] Lattice constant from hgh pp   Dhara Raval
• [Pw_forum] Lattice constant from hgh pp   Saif Ullah
• [Pw_forum] Lattice constant from hgh pp   Thomas Brumme
• [Pw_forum] Lattice constant from hgh pp   Thomas Brumme
• [Pw_forum] nbnd   B S Bhushan
• [Pw_forum] nbnd   Giuseppe Mattioli
• [Pw_forum] nbnd   Paolo Giannozzi
• [Pw_forum] nbnd   B S Bhushan
• [Pw_forum] NEB: Huge error for first image   Maxim Skripnik
• [Pw_forum] NEB: Huge error for first image   Maxim Skripnik
• [Pw_forum] Need fully relativistic pseudopotentials of W   kulwinder kaur
• [Pw_forum] Negative frequence at Gamma point and other kpoints   Mohammed Ghadiyali
• [Pw_forum] Negative frequence at Gamma point and other kpoints   Mohammed Ghadiyali
• [Pw_forum] Negative frequence at Gamma point and other kpoints.   方子明
• [Pw_forum] Negative frequence at Gamma point and other kpoints.   方子明
• [Pw_forum] Negative frequence at Gamma point and other kpoints.   方子明
• [Pw_forum] Negative frequence at Gamma point and other kpoints.   Paolo Giannozzi
• [Pw_forum] Optimized tetrahedron method El-Ph Calculation Error   Isaiah Moses
• [Pw_forum] Optimized tetrahedron method El-Ph Calculation Error   Mitsuaki Kawamura
• [Pw_forum] Optimized tetrahedron method El-Ph Calculation Error   Paolo Giannozzi
• [Pw_forum] Optimized tetrahedron method El-Ph Calculation Error   Isaiah Moses
• [Pw_forum] Optimized tetrahedron method El-Ph Calculation Error   Paolo Giannozzi
• [Pw_forum] Optimized tetrahedron method El-Ph Calculation Error   Isaiah Moses
• [Pw_forum] Optimized tetrahedron method El-Ph Calculation Error   Isaiah Moses
• [Pw_forum] Orthogonalization of wave function and implementation of Forces   Akmal Khan
• [Pw_forum] Orthogonalization of wave function and implementation of Forces   Lorenzo Paulatto
• [Pw_forum] Orthogonalization of wave function and implementation of Forces   Akmal Khan
• [Pw_forum] Orthogonalization of wave function and implementation of Forces   Cococcioni Matteo
• [Pw_forum] Orthogonalization of wave function in LDA+U calculations   Akmal Khan
• [Pw_forum] Orthogonalization of wave function in LDA+U calculations   Cococcioni Matteo
• [Pw_forum] Orthogonalization of wave function in LDA+U calculations   Akmal Khan
• [Pw_forum] Phonon dispersion with LO-TO splitting   Barnali Bhattacharya
• [Pw_forum] Phonon dispersion with LO-TO splitting   Lorenzo Paulatto
• [Pw_forum] Phonon negative Frequency   Suresh A
• [Pw_forum] Phonon negative Frequency   Isaiah Moses
• [Pw_forum] Phonon negative Frequency   Thomas Brumme
• [Pw_forum] Phonon negative Frequency   David Foster
• [Pw_forum] Phonon negative Frequency   Ari P Seitsonen
• [Pw_forum] Phonon negative Frequency   Suresh A
• [Pw_forum] Physical meaning of two imaginary phonon frequencies at NEB saddle point   JAY Antoine
• [Pw_forum] Physical meaning of two imaginary phonon frequencies at NEB saddle point and Transition State Theory   JAY Antoine
• [Pw_forum] Physical meaning of two imaginary phonon frequencies at NEB saddle point and Transition State Theory   Pascal Boulet
• [Pw_forum] Physical meaning of two imaginary phonon frequencies at NEB saddle point and Transition State Theory   JAY Antoine
• [Pw_forum] Problem with normal modes of NO gas phase   Francesco Moriggi
• [Pw_forum] Problem with normal modes of NO gas phase   Paolo Giannozzi
• [Pw_forum] Problem with normal modes of NO gas phase   Nicola Marzari
• [Pw_forum] Problem with normal modes of NO gas phase   Francesco Moriggi
• [Pw_forum] Problem with PDOS (format/variable-type mismatch)   B S Bhushan
• [Pw_forum] Problem with PDOS (format/variable-type mismatch)   Paolo Giannozzi
• [Pw_forum] Problem with PDOS (format/variable-type mismatch)   B S Bhushan
• [Pw_forum] Problem with PDOS (format/variable-type mismatch)   Lorenzo Paulatto
• [Pw_forum] Problem with PDOS (format/variable-type mismatch)   Paolo Giannozzi
• [Pw_forum] Problem with PDOS (format/variable-type mismatch)   B S Bhushan
• [Pw_forum] Problem with tetrahedra method for calculations DOS   Yedu Kondalu
• [Pw_forum] Problem with tetrahedra method for calculations DOS   Karim Elgammal
• [Pw_forum] Problem with tetrahedra method for calculations DOS   Yedu Kondalu
• [Pw_forum] Problem with tetrahedra method for calculations DOS   Yedu Kondalu
• [Pw_forum] Problem with tetrahedra method for calculations DOS   Paolo Giannozzi
• [Pw_forum] Problem with tetrahedra method for calculations DOS   Mitsuaki Kawamura
• [Pw_forum] Problem with tetrahedra method for calculations DOS   Andrea Ferretti
• [Pw_forum] Problem with tetrahedra method for calculations DOS   Yedu Kondalu
• [Pw_forum] Problem with tetrahedra method for calculations DOS (fwd)   Andrea Ferretti
• [Pw_forum] Problem with tetrahedra method for calculations DOS (fwd)   Paolo Giannozzi
• [Pw_forum] projwfc.x issue crashes in large scale cases   Martin Gmitra
• [Pw_forum] projwfc.x issue crashes in large scale cases   Karim Elgammal
• [Pw_forum] projwfc partially occupied levels above Fermi level   Christoph Wolf
• [Pw_forum] projwfc partially occupied levels above Fermi level   Carlo Nervi
• [Pw_forum] projwfc partially occupied levels above Fermi level   Warren Pickett
• [Pw_forum] projwfc partially occupied levels above Fermi level   Christoph Wolf
• [Pw_forum] Pseudopotential in calculation of interatomic force constants.   方子明
• [Pw_forum] Pseudopotential in calculation of interatomic force constants.   Lorenzo Paulatto
• [Pw_forum] Pseudopotential in calculation of interatomic force constants.   方子明
• [Pw_forum] Pseudo Potential selection with different methods   Muthu V
• [Pw_forum] Pseudo Potential selection with different methods   Nicola Marzari
• [Pw_forum] Pseudo Potential selection with different methods   Karim Elgammal
• [Pw_forum] qe-6.2 Phonon recover=.true. Not Working   Isaiah Moses
• [Pw_forum] qe-6.2 Phonon recover=.true. Not Working   Isaiah Moses
• [Pw_forum] qe-6.2 Phonon recover=.true. Not Working   Mitsuaki Kawamura
• [Pw_forum] qe-6.2 Phonon recover=.true. Not Working   Isaiah Moses
• [Pw_forum] qe-6.2 Phonon recover=.true. Not Working   Isaiah Moses
• [Pw_forum] qe-6.2 Phonon recover=.true. Not Working   Mitsuaki Kawamura
• [Pw_forum] QE 6.2 + Environ 0.2   MUIR,Christopher
• [Pw_forum] QE 6.2 + Environ 0.2   Oliviero Andreussi
• [Pw_forum] QE 6.2 + Environ 0.2   MUIR,Christopher
• [Pw_forum] QM/MM   Sebastian Gsänger
• [Pw_forum] Quantum Mobile virtual machine and AiiDA 0.10.0   Giovanni Pizzi
• [Pw_forum] Question about fixed magnetization calculation   David Foster
• [Pw_forum] question regarding nbnd option   B S Bhushan
• [Pw_forum] question regarding nbnd option   Jia Chen
• [Pw_forum] question regarding nbnd option   B S Bhushan
• [Pw_forum] Reading *.out file   Amar Singh
• [Pw_forum] Reading *.out file   Lorenzo Paulatto
• [Pw_forum] Reading *.out file   Ilya Ryabinkin
• [Pw_forum] revPBE + vdW-df-c09x   Saif Ullah
• [Pw_forum] SCAN + rVV10   Subrata Jana
• [Pw_forum] SCAN + rVV10   Giuseppe Mattioli
• [Pw_forum] SCAN + rVV10   Subrata Jana
• [Pw_forum] SCAN + rVV10   Paolo Giannozzi
• [Pw_forum] SCAN + rVV10   Giuseppe Mattioli
• [Pw_forum] search mode symmetry   wangwei
• [Pw_forum] Seeking your kind help in conductance calculation   Bibhas Manna
• [Pw_forum] Selecting vales for doing Electric field calcualtions   Mohammed Ghadiyali
• [Pw_forum] Selecting vales for doing Electric field calcualtions   Thomas Brumme
• [Pw_forum] Selection of K point for band structure calculation   Valentina Shvets
• [Pw_forum] Selection of K point for band structure calculation   Mohammed Ghadiyali
• [Pw_forum] Selection of K point for band structure calculation   Giovanni Pizzi
• [Pw_forum] Spin magnetization   Andrey Chibisov
• [Pw_forum] Spin Polarization and Relaxation   Akmal Khan
• [Pw_forum] symmetry opertions   Uri Argaman
• [Pw_forum] symmetry opertions   Paolo Giannozzi
• [Pw_forum] Thank you for replying to my request for information regarding Computer Specification for running QE   Krishnendu Mukherjee
• [Pw_forum] The downloaded pwtk is corrupted   balabi
• [Pw_forum] The downloaded pwtk is corrupted   Paolo Giannozzi
• [Pw_forum] The downloaded pwtk is corrupted   Tone Kokalj
• [Pw_forum] The downloaded pwtk is corrupted   balabi
• [Pw_forum] Typical "energy resolution" of QE   Christoph Wolf
• [Pw_forum] Vacuum for non-periodic structure   Anik Mondol
• [Pw_forum] Vacuum for non-periodic structure   David Foster
• [Pw_forum] Vacuum for non-periodic structure   Giovanni Cantele
• [Pw_forum] Vacuum for non-periodic structure   Anik Mondol
• [Pw_forum] vc-relax + vdW-DF2. PWSCF v.6.1   Ronald Cohen
• [Pw_forum] which machine is better to parallelism?   hamed asadi
• [Pw_forum] xml data file not found   Punit Kumar
• [Pw_forum] xml data file not found   Pietro Delugas
• [Pw_forum] YSZ unit cell   hamed asadi
• [Pw_forum] YSZ unit cell   Marzari Nicola
• [Pw_forum] YSZ unit cell   stefano fabris

Last message date: Thu Nov 30 19:33:03 CET 2017
Archived on: Wed Feb 28 11:16:25 CET 2018

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