🔲 k 点网格建议器 k-point Grid Suggester
Monkhorst-Pack 启发式:Nᵢ = ⌈2π / (aᵢ × Δk)⌉。Δk 是 k 点间距,默认 0.1 Å⁻¹(典型生产精度;0.05 更精细,0.03 高精度)。 Monkhorst-Pack heuristic; default Δk = 0.1 Å⁻¹ (production); 0.03 for high accuracy.
建议网格:— × — × —
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科研小工具箱 · Free bilingual tools for researchers
Monkhorst-Pack 启发式:Nᵢ = ⌈2π / (aᵢ × Δk)⌉。Δk 是 k 点间距,默认 0.1 Å⁻¹(典型生产精度;0.05 更精细,0.03 高精度)。 Monkhorst-Pack heuristic; default Δk = 0.1 Å⁻¹ (production); 0.03 for high accuracy.