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Date: Thu, 06 Apr 2000 12:42:37 -0700
From: Jingyi Shen <shen@mail.chem.tamu.edu>
Organization: TAMU
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To: chemistry@ccl.net
Subject: CCL:print MO coefficients in DMOL
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Hi, All,

I am a new user of DMOL program in InsightII from MSI. I did a
calculation for a big molecule. I want to look at the MO coefficients in
the output. Although I specified the program to print them, it did not
print all of them. For each symmetry, it printed about 30 orbitals, but
not include the one I am looking for. I use the keyword " Print eig
psi", but don't know how to specify which MOs to print. I would
appreciate any help from experienced DMOL users.

Thanks in advance.

Jingyi Shen

TAMU