[molpro-user] threshhold value

[diwaker kumar]

Dear molrpo users..


 i want to calculate reaction energy for some reaction at CCSD(T) level,
but i am getting the following error at the output


 Eigenvalues of metric

         1 0.469E-08 0.871E-08 0.141E-07 0.215E-07 0.232E-07 0.283E-07
0.450E-07 0.612E-07
         2 0.154E-05 0.423E-05 0.658E-05 0.912E-05 0.117E-04 0.185E-04
0.232E-04 0.248E-04

 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.

can any body suggest me how to get rid of it.. i choose different values
but error remains the same

thanks in advance for kind suggestions and help

thanks
yours sincerely
Diwaker
Research Scholar
School of Basic sciences
Indian Institute of technology Mandi(H.P)
+919736660660
Email Id-:
diwakerphysics at gmail.com
diwakerphysics at yahoo.in
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