[ase-users] openmx error

[Ask Hjorth Larsen]

Dear Reza,

Thank you for reporting these issues.  It appears we don't have active
OpenMX people on the mailing list, so I have created an issue on
Gitlab [1] in the hope that Shim JaeHwan, the maintainer of the
ASE-OpenMX calculator, might be able to fix them or offer advice.

Please feel free to join on Gitlab and discuss the issues there.

[1] https://gitlab.com/ase/ase/issues/538

Best regards
Ask

Am Di., 28. Jan. 2020 um 10:04 Uhr schrieb Reza Behjatmanesh-Ardakani
via ase-users <ase-users at listserv.fysik.dtu.dk>:
>
> 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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