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2014年 7月 21日 (月) 18:35:26 JST
#34062: Use GEDIIS superposed force to calculate RFO step
Open Date: 2014-07-21 18:35
Last Update: 2014-07-21 18:35
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Last Changes/Comment for this Ticket:
2014-07-21 18:35 Update by: ktns
* New Ticket "Use GEDIIS superposed force to calculate RFO step" created
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Ticket Status:
Reporter: ktns
Owner: ktns
Type: バグ
Status: オープン
Priority: 5 - 中
MileStone: ver0.4.0
Component: (未割り当て)
Severity: 5 - 中
Resolution: なし
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Ticket details:
According to Eq.7 of Ref. LF_2006, the RFO step as a 2nd order correction of the GEDIIS geometry,
should be calculated by the GEDIIS superposed force, instead of the force obtained from previous geometry.
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