Use F,P as DIIS error vector for SCF

• Reporter: ktns
• Owner: (None)
• Type: Patches
• Status: Open
• Component: (None)
• MileStone: (None)
• Priority: 4
• Severity: 4
• Resolution: None
• File: None

Details

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