Use F,P as DIIS error vector for SCF

• Relator: ktns
• Dono: (Nenhum)
• Tipo: Patches
• Estado: Aberto
• Componente: (Nenhum)
• Marcos: (Nenhum)
• Prioridade: 4
• Gravidade: 4
• Resolução: Nenhum
• Arquivo: Nenhum

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