[molpro-user] ERROR IN OPTVAR_VALUE: VARIABLE ECBS NOT FOUND
pauli
zhangrutangtao at 163.com
Fri Oct 26 09:08:27 BST 2012
Hi Molpro-Users, I study the" BASIS SET EXTRAPOLATION" for the first time.when I run the input as follows,the process can't recognize the "ecbs".***,ch3clmemory,384,m;
!file,2,ch3ccl-single_point-test.wfu
basis=avtz;
rccl=1.8;
rch=1.1;
alpha=108.8;
geometry={Z;
ang;
c,
Cl,c,rccl;
h1,c,rch,Cl,alpha;
h2,c,rch,Cl,alpha,h1,120;
h3,c,rch,Cl,alpha,h2,120;}
proc cbs34
{hf;wf,26,1,0;}
{ccsd(t);}
extrapolate,basis=avtz:avqz
endproc
optg,variable=ecbs,proc=cbs34
freq,variable=ecbs,proc=cbs34
And the error message:
ERROR IN OPTVAR_VALUE: VARIABLE ECBS NOT FOUND
My version is 08.And the corresponding manual seems not introduce the following message.Any suggestion will be appreciated.
Cheers,
-tao
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