vasp計算aggas2能帶及態(tài)密度及光學(xué)性質(zhì)-資料下載頁
2025-01-07 12:35本頁面
【正文】 d( 1, 4) SHG (real part)= and (imag part) (pm/V) d( 1, 5) SHG (real part)= and (imag part) (pm/V) d( 1, 6) SHG (real part)= and (imag part) (pm/V) d( 2, 1) SHG (real part)= and (imag part) (pm/V) d( 2, 2) SHG (real part)= and (imag part) (pm/V) d( 2, 3) SHG (real part)= and (imag part) (pm/V) d( 2, 4) SHG (real part)= and (imag part) (pm/V) d( 2, 5) SHG (real part)= and (imag part) (pm/V) d( 2, 6) SHG (real part)= and (imag part) (pm/V) d( 3, 1) SHG (real part)= and (imag part) (pm/V) d( 3, 2) SHG (real part)= and (imag part) (pm/V) d( 3, 3) SHG (real part)= and (imag part) (pm/V) d( 3, 4) SHG (real part)= and (imag part) (pm/V) d( 3, 5) SHG (real part)= and (imag part) (pm/V) d( 3, 6) SHG (real part)= and (imag part) (pm/V) 由上可得最大倍頻系數(shù)為 d（ ） 動態(tài)倍頻系數(shù)計算 運行 vasp 需要輸入以下數(shù)據(jù) momentum_matrix 存放躍遷矩陣元的文件名 單胞體積 實驗帶隙 1 起始能帶 26 終止能帶 T 為 True時表示要計算動態(tài)倍頻系數(shù) 10 考察動態(tài)倍頻系數(shù)時的能量范圍 500 格點數(shù) 1 4 倍頻系數(shù)分量 d14
公司管理相關(guān)推薦
鄂ICP備17016276號-1