[molpro-user] How to punch MO coefficients?

Toshimasa ISHIDA ishida at fukui.kyoto-u.ac.jp
Thu Sep 8 04:52:28 BST 2011

Hello, ,


I would like to know how to get MO coefficients in E format.

(ex. 1.234567E-02, for example) 


This is probably done by punching MO coefficients, but

I cannot find how to do this yet.


I know how to print MO coefficients, but they are in F format, and

I am worried about precision. Thus, I want to get them in E format.


Thank you very much for your help.


Best regards,


Toshimasa ISHIDA  

ishida at fukui.kyoto-u.ac.jp

Associate Professor in General Research Division

Fukui Institute for Fundamental Chemistry, Kyoto Univ.

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