Use F,P as DIIS error vector for SCF

• 回報者: ktns
• 負責人: (無)
• 類型: 修補檔案
• 狀態: 開啟
• 元件: (無)
• 里程碑: (無)
• 優先權: 4
• 嚴重程度: 4
• 處理結果: 無
• 檔案: 無

細節

P would be a more suitable DIIS error vector for SCF rather than ΔP.

Ticket History (1/1 Histories)

2012-07-27 08:30 Updated by: ktns

• New Ticket "Use F,P as DIIS error vector for SCF" created