abacusmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
154 stars 154 forks source link

能否给出锕系元素U和Pu的轨道赝势 #330

Open songruipku opened 1 month ago

songruipku commented 1 month ago

Background

目前研究广泛,需求迫切的两种锕系元素U和Pu的轨道赝势仍然缺乏,希望能用ABACUS做相关研究。

Describe the solution you'd like

在可供下载的轨道赝势库中增加U和Pu的赝势。

Task list only for developers

Notice Possible Changes of Behavior (Reminder only for developers)

No response

Notice any changes of core modules (Reminder only for developers)

No response

Notice Possible Changes of Core Modules (Reminder only for developers)

No response

Additional Context

No response

Task list for Issue attackers (only for developers)