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Gina88

木虫 (正式写手)

[求助] ALGO怎么设置,看手册看糊涂了。

09手册上p74页上6.43 ALGO-tag说:
ALGO=Normal | VeryFast | Fast | All | Damped
感觉ALGO是一个跟算法有关的标签。
后面还说:
ALGO=Normal (blocked Davidson block iteration scheme)
ALGO=Very_Fast (RMM-DIIS)
ALGO=FAST (先blocked Davidson block iteration scheme 后 RMM-DIIS)

而到手册p107 6.66.1 ALGO for response function and GW calculations
ALGO= CHI | GW0 | GW | scGW |scGW0

所以对ALGO这个tag深深的感到迷糊。
望大侠们帮忙解答啊:)
先谢了!
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