<p>
</p>
<pre>
Dear molrpo users..
i want to calculate energy <span class="short_text" id="result_box"
lang="en"><span class="hps">with HF at Molpro.2010, but i can't the
same error:
</span></span>
Eigenvalues of metric
1-0.305E+02 0.373E-06
0.561E-06 0.604E-06 0.210E-05 0.526E-05 0.666E-05 0.677E-05
ERROR: BASIS LINEARLY DEPENDENT OR WRONG S
The current threshold for the smallest tolerated eigenvalue of S
is 1.0D-08
This threshold can be changed with GTHRESH,THROVL=value, but
values smaller than 1.d-8
are normally not recommended and can cause numerical problems.
ERROR EXIT
CURRENT STACK: MAIN
<span class="short_text" id="result_box" lang="en"><span class="hps">I can
do it</span> <span class="hps">with</span> <span class="hps">an older
version of</span> <span class="hps">molpro, </span></span><span
id="result_box" lang="en"><span>but I</span> <span class="hps">want to
use</span> <span class="hps">2010</span> <span class="hps">with</span>
<span class="hps">what I</span> <span class="hps">worked</span> <span
class="hps">the</span> <span class="hps">update</span> <span
class="hps">of</span> <span class="hps
atn">'</span><span>molpro.2010.nightly</span><span>'</span></span></pre>
<p>
<span class="short_text" id="result_box" lang="en"><span
class="hps">thank you</span></span></p>