前些天在做一个合作,合作的体系是一个 2 号空间群(P1¯)的怪东西,需要算能带极值点的有效质量。通过 seeK-path 生成了k-path,之后丢进CRYSTAL17进行计算。k-path 如下: Γ—X|Y—Γ—Z|R—Γ—T|U—Γ—V 具体倒空间坐标如下: Γ 0.0000000000 0.0000000000 0.0000000000 R 0.5000000000 0.5000000000 0.500...
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures - Renamed from kpaths3d to seekpath · giovannipizzi/seekpath@416ada0
SeeK-path Test status for default branch: SeeK-path is a python module to obtain band paths in the Brillouin zone of crystal structures. The definition of k-point labels follows crystallographic convention, as defined and discussed in the HPKOT paper. Moreover, the Bravais lattice is detected...
对于bulk体系，可以用seek-path生成，那对于slab需要如何处理，可以只选择垂直于真空层，过GAMMA点的那个...
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BlackRock considers many investment risks in our processes. In order to seek the best risk-adjusted returns for our clients, we manage material risks and opportunities that could impact portfolios, including financially material Environmental, Social and/or Governance (ESG) data or information, where ...
作者没有训练专用模型,而是开发了一个面向代码的流程,这个流程可以应用于任何能够用于编码任务的预训练的LLM,例如GPT或DeepSeek。 下图展示了一个 CodeContests 数据集中的典型问题示例: 为什么CodeContests是一个评估代码生成任务的LLM的优秀数据集? 主要原因是: ...
Former Rep.Drew Ferguson(R-Ga.), who did not seek reelection in 2024, has joinedAlston & Bird’s legislative and public policy group as a senior policy adviser. During his time in the House, Ferguson served on the tax-writing Ways and Means Committee, chairing the Subcommittee on Socia...
Using the method of Lagrange multipliers, we seek the value of the parameter p α , β ( e ) and the Lagrange multipliers c α that nullify the partial derivatives of the Lagrange function L ( p α , β ( e ) , c α ) with respect to the parameters p α , β ( e ) and the...
AI大神Karpathy发布的新项目仅用1000行的C语言训完GPT-2,而不再依赖庞大的GPT-2库。他本人预告,即将上线新课。 断更近一个月,Karpathy终于上线了。 这次不是AI大课,而是带来一个新项目。 仅用1000行纯C语言训完GPT-2。 想象一下,如果我们能够不依赖于庞大的PyTorch(245MB)和cPython(107MB)库,仅仅使用...