[QE-users] File-write problems in neb.x (6.4 and higher)

Paolo Giannozzi p.giannozzi at gmail.com
Sun Apr 14 18:11:33 CEST 2019


On Sun, Apr 14, 2019 at 3:27 PM Ian Shuttleworth <shuttleworth.ian at gmail.com>
wrote:

I've just tried a much smaller test (12 atoms) and same problem with the
> xml write
>

- are xml files data-file-schema (one per NEB point and per subdirectory)
actually written?
- if not: is a xml file written if you run the input data for a specific
point with the scf code pw.x?

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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