[molpro-user] density matrix

William Chua dodong70 at yahoo.com
Wed Jun 28 09:52:36 BST 2006


Dear Molpro Users,

I would like to do

{ci; trans, 6001.2, 6101.2; dm, 7000.2}
{ci; trans, 6001.2, 6102.2; dm, 7000.2}

That is, I want to APPEND the second set of density
matrix to the same file (7000.2). However, when I do
this, the first set gets overwritten.

Does anybody have a suggestion on how to achieve this?

W. Chua

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