[ase-users] help

Fri Mar 10 08:53:34 CET 2017

The write function can write a POSCAR file if you want that.

from ase.io import write

write('POSCAR', insert name of your atoms object)

https://wiki.fysik.dtu.dk/ase/ase/io/io.html

Niels Bendtsen Halck
Postdoc
DTU Energy
Bygning 309
2800 Kgs. Lyngby
ntben at dtu.dk
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Fra: ase-users-bounces at listserv.fysik.dtu.dk [ase-users-bounces at listserv.fysik.dtu.dk] p&#229; vegne af Franck Olivier Ngassam Nyakam via ase-users [ase-users at listserv.fysik.dtu.dk]
Sendt: 9. marts 2017 12:10
Til: ase-users at listserv.fysik.dtu.dk
Emne: [ase-users] help

Hello sir

Please have my file 'slab.xyz' positions out of ase. And I would like to convert it into a file or format 'POSCAR' usable by VASP. How to do it please.