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Re^2: external basis sets and pseudo-potentials

B. Koa
barfi.koa@gmail.com


Dear Sanya

I Thank you in advance. Your file was too helpful for me.

B. Koa

On Mon Sep 6 '10 11:46pm, sanya wrote
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>Here is a working example. The order of atoms in $ECP group should be the same as in the $DATA group.


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