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Specify number of DIIS vectors to save in CCSDTQ calculations

  • xzhang8
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1 week 1 day ago #1552 by xzhang8
Specify number of DIIS vectors to save in CCSDTQ calculations was created by xzhang8
Dear developers,

I wonder if I can specify the number of DIIS vectors being saved in CCSDTQ calculations. I only found the DIIS keywords for SCF calculations in the manual. Because my system is large, the generated DIIS files fort.18 and fort.19 are too large to store on the disk. Thank you in advance.

Xing

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