Hi all,
Recently, I try to use TS-ASE to do some NEB work for LiFeSiO4 system, but some bugs occur, would you please help me to fix the problem?
My input file is as follow:
#!/usr/bin/env python
from __future__ import print_function
#from tsase.calculators.vasp_ext import Vasp
from ase.io import ...
Search found 1 match
- Tue Jul 24, 2018 9:35 pm
- Forum: tsase
- Topic: TSASE with lammps
- Replies: 0
- Views: 136534