[ase-users] Reanalysis of finished results

フォンスポール J paulfons at keio.jp
Sun May 10 16:21:59 CEST 2020


I have been a user of pymatgen for a while and routinely use it for analyzing VASP results. Unformately, it does not interfacw with Castep which is (one of) the reason(s) I have started exploring ASE. I am curious if I finish a large calculation, can I use ASE to analyse the reslting files or must I analyze the results only while the ASE program that ran the calculation is active?



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