June 2017 Archives by date

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Starting: Fri Jun 2 16:23:27 CEST 2017
Ending: Fri Jun 30 23:10:26 CEST 2017
Messages: 80

• [ase-users] Using internal optimizers of codes with ASE   Ask Hjorth Larsen
• [ase-users] Molecular Dynamics Masses   Tristan Maxson
• [ase-users] Molecular Dynamics Masses   Eric Hermes
• [ase-users] Efficiency of vibrational frequency using VASP as the calculator   陳佑任
• [ase-users] Efficiency of vibrational frequency using VASP as the calculator   Tristan Maxson
• [ase-users] How to make a sqrt(3) x sqrt(3) R30 Pt(111) POSCAR using ASE   Zhang, Qiang
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Panu Sam-Ang
• [ase-users] How to make a sqrt(3) x sqrt(3) R30 Pt(111) POSCAR using ASE   Zeyuan Tang
• [ase-users] How to make a sqrt(3) x sqrt(3) R30 Pt(111) POSCAR using ASE   Jens Jørgen Mortensen
• [ase-users] PreconLBFGS and broken symmetry   Jens Jørgen Mortensen
• [ase-users] How to make a sqrt(3) x sqrt(3) R30 Pt(111) POSCAR using ASE   Zhang, Qiang
• [ase-users] use ase.io.write to write POSCAR, options   Zhang, Qiang
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Ask Hjorth Larsen
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Panu Sam-Ang
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Ask Hjorth Larsen
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Panu Sam-Ang
• [ase-users] Missing keyword in vasp calculator   Protik Das
• [ase-users] PNG writing error   fabian
• [ase-users] PNG writing error   Jens Jørgen Mortensen
• [ase-users] PNG writing error   fabian
• [ase-users] PNG writing error   Jens Jørgen Mortensen
• [ase-users] PNG writing error   fabian
• [ase-users] viewing structures in Jupyter notebook   Łukasz Mentel
• [ase-users] viewing structures in Jupyter notebook   Peterson, Andrew
• [ase-users] Idea for improvement: ase.calculators.vasp.vasp ... VaspChargeDensity for VASP potentials   Jürgen Spitaler
• [ase-users] Idea for improvement: ase.calculators.vasp.vasp ... VaspChargeDensity for VASP potentials   Gaël Donval
• [ase-users] Upcoming release: ASE 3.14.0   Ask Hjorth Larsen
• [ase-users] Backwards-compatible change to how VASP chooses default pseudopotentials   Eric Hermes
• [ase-users] Formation of Ni/Au alloy   Punit Kumar
• [ase-users] Formation of Ni/Au alloy   Peterson, Andrew
• [ase-users] Formation of Ni/Au alloy   Tristan Maxson
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Zhang, Qiang
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Protik Das
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Niels Bendtsen Halck
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Zeyuan Tang
• [ase-users] PNG writing error   Jens Jørgen Mortensen
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Zhang, Qiang
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Protik Das
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Zhang, Qiang
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Tristan Maxson
• [ase-users] error from using NWChem as calculator for Pt-H2-Pt system   Panu Sam-Ang
• [ase-users] tddft calculation   Mortaza Aghtar
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Kondov, Ivan (SCC)
• [ase-users] tddft calculation   Ask Hjorth Larsen
• [ase-users] error from using NWChem as calculator for Pt-H2-Pt system   Van Dam, Hubertus
• [ase-users] TDDFT with applied bias   Alessandro Pirrotta
• [ase-users] TDDFT with voltage bias   Alessandro Pirrotta
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Panu Sam-Ang
• [ase-users] ASE version 3.14.0 released!   Ask Hjorth Larsen
• [ase-users] Mouse scroll not working in ase-gui of ase-3.14.0 on Windows 10   Zeyuan Tang
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Kondov, Ivan (SCC)
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Tristan Maxson
• [ase-users] Mouse scroll not working in ase-gui of ase-3.14.0 on Windows 10   Jens Jørgen Mortensen
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Zhang, Qiang
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Tristan Maxson
• [ase-users] ASE made Pt(111) surface, cannot converge in VASP   Zhang, Qiang
• [ase-users] TDDFT with voltage bias   Mikkel Strange
• [ase-users] calc.get_eigenvalues(), get_occupations()   Ask Hjorth Larsen
• [ase-users] vasp langevin_gamma(_L) parameter   Otto Kohulák
• [ase-users] disabling parallel I/O   Noam Bernstein
• [ase-users] disabling parallel I/O   Ask Hjorth Larsen
• [ase-users] disabling parallel I/O   Noam Bernstein
• [ase-users] info NEB+Siesta   Tommaso Francese
• [ase-users] info NEB+Siesta   marc
• [ase-users] VASP NPT MD issue   Kohulák Oto
• [ase-users] info NEB+Siesta   marc
• [ase-users] Bugfix release: ASE 3.14.1   Ask Hjorth Larsen
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Panu Sam-Ang
• [ase-users] Testing a new ASE calculator   Charles Johnson
• [ase-users] Testing a new ASE calculator   Jens Jørgen Mortensen
• [ase-users] info NEB+Siesta   marc
• [ase-users] info NEB+Siesta   Ask Hjorth Larsen
• [ase-users] info NEB+Siesta   Ask Hjorth Larsen
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Kondov, Ivan (SCC)
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Panu Sam-Ang
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Simon Rittmeyer
• [ase-users] ***SPAM*** Re: info NEB+Siesta   marc
• [ase-users] ***SPAM*** Re: info NEB+Siesta   Ask Hjorth Larsen
• [ase-users] ***SPAM*** Re: info NEB+Siesta   marc
• [ase-users] getting Hamiltonian and overlap matrices from NWChem   Panu Sam-Ang

Last message date: Fri Jun 30 23:10:26 CEST 2017
Archived on: Fri Jun 30 23:10:56 CEST 2017

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