[ase-users] openmx error

Reza Behjatmanesh-Ardakani reza.b.m.a at gmail.com
Tue Jan 28 10:03:15 CET 2020


Also, in NEB calculations with ASE-OPENMX shows very large unnecessary cube
files. These requests are in ASE files and not in the user input files.

On Tue, Jan 28, 2020 at 8:41 AM Reza Behjatmanesh-Ardakani <
reza.b.m.a at gmail.com> wrote:

> Hi,
> It seems that the previous error is only for openmx3.9.
>
> I used openmx3.8 for which job is done normally.
>
> Please define new version of openmx (3.9) with its new basis set (PAO
> 2019) in ASE.
> Thanks
> Reza
>
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