[CP2K-user] [CP2K:15070] Actinides

[Vladimir Stegailov]

Dear Austin,

attached to this message I am sending this pseudopotential for uranium and
two basis sets (DZV and TZV) in the CP2K format. Hope this model could be
useful in your studies.

Kind regards,
Vladimir

пт, 2 апр. 2021 г. в 04:01, aust... at gmail.com <
austin.d... at gmail.com>:

> Thank you Vladimir!
>
> On Wednesday, March 31, 2021 at 10:34:24 PM UTC-6 st... at gmail.com wrote:
>
>> this GTH model for U has been tested for condensed systems
>> https://doi.org/10.1134/S199508021705033X
>>
>> чт, 1 апр. 2021 г. в 02:53, aust... at gmail.com <
>> aust... at gmail.com>:
>>
>>> Dear CP2K Community,
>>>
>>> Does any one know of pseudopotentials for actinides that could be used
>>> in condensed phases? I am examining actinide behavior in molten halide
>>> salts.
>>>
>>> Thank you,
>>> Austin
>>>
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