June 2020 Archives by author

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Starting: Mon Jun 1 22:05:30 CEST 2020
Ending: Tue Jun 30 20:28:16 CEST 2020
Messages: 46

• [ase-users] Using ORCA in ASE   -
• [ase-users] Using sockets to do NEB calculations   Kushagra Agrawal
• [ase-users] Using sockets to do NEB calculations   Kushagra Agrawal
• [ase-users] CP2K and ASE   Hasan Al-Mahayni
• [ase-users] Running NEB with ASE and CP2K   Hasan Al-Mahayni
• [ase-users] Thermochemistry with cp2k and ASE   Hasan Al-Mahayni
• [ase-users] NEB problem setting calculator   Hasan Al-Mahayni
• [ase-users] cif file reading   Alaithan, Zainab
• [ase-users] NEB errors   Dan Bai
• [ase-users] LAMMPS Trajectory dump file to extendedXYZ custom parameters   Noam Bernstein
• [ase-users] [ase-user] Geometrical optimization using ase interfaced quantum ESPRESSO   Yuvam Bhateja
• [ase-users] Cp2k kpoints on ASE   Maxime Van den Bossche
• [ase-users] NEB errors   Albert Bruix
• [ase-users] LAMMPS Trajectory dump file to extendedXYZ custom parameters   Abhijeet Dhakane
• [ase-users] ase.build.surface how to express new lattice vectors in terms of old lattice vectors   Marchand Daniel John Gilles
• [ase-users] Request for new feature-effective mass   Uma Mahendra Kumar K
• [ase-users] set_initial_magnetic_moments not working in loop?   Punit Kumar
• [ase-users] Cp2k kpoints on ASE   Ask Hjorth Larsen
• [ase-users] ase.build.surface how to express new lattice vectors in terms of old lattice vectors   Ask Hjorth Larsen
• [ase-users] Running ASE with Slurm Workload Manager   Ask Hjorth Larsen
• [ase-users] Using sockets to do NEB calculations   Ask Hjorth Larsen
• [ase-users] [ase-user] Geometrical optimization using ase interfaced quantum ESPRESSO   Ask Hjorth Larsen
• [ase-users] Using sockets to do NEB calculations   Ask Hjorth Larsen
• [ase-users] cif file reading   Ask Hjorth Larsen
• [ase-users] Mixing calculator   Ask Hjorth Larsen
• [ase-users] Using ORCA in ASE   Ask Hjorth Larsen
• [ase-users] Using ORCA in ASE   Ask Hjorth Larsen
• [ase-users] Mixing calculator   Ask Hjorth Larsen
• [ase-users] Request for new feature-effective mass   Ask Hjorth Larsen
• [ase-users] ase-vasp calculation problem   Liu
• [ase-users] Thermochemistry with cp2k and ASE   Tristan Maxson
• [ase-users] electrostatic potential in transport   Jingjing SHAO
• [ase-users] Running ASE with Slurm Workload Manager   Gürcan Serttaş
• [ase-users] ase-vasp calculation problem   Alexander Sougaard Tygesen
• [ase-users] 回复： ase-vasp calculation problem   Alexander Sougaard Tygesen
• [ase-users] Convert xsf to povray for the plotting wannier function's isosurface.   Michael Joseph Waters
• [ase-users] set_initial_magnetic_moments not working in loop?   Offermans Willem
• [ase-users] QMMM simulation of metal cation hydration   Offermans Willem
• [ase-users] set_initial_magnetic_moments not working in loop?   Christoph Wolf
• [ase-users] set_initial_magnetic_moments not working in loop?   Christoph Wolf
• [ase-users] Convert xsf to povray for the plotting wannier function's isosurface.   Hongyi Zhao
• [ase-users] ASAP3 installation   lipai at mail.ustc.edu.cn
• [ase-users] QMMM simulation of metal cation hydration   nancy
• [ase-users] Mixing calculator   nancy
• [ase-users] Using ORCA in ASE   nancy
• [ase-users] Mixing calculator   nancy

Last message date: Tue Jun 30 20:28:16 CEST 2020
Archived on: Tue Jun 30 20:28:41 CEST 2020

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