[molpro-user] Printing Gradients in LCC2/ADC(2)

[Zhibo Wang]

Greetings,

I am attempting to print gradients from an ADC(2)/LCC2 computation and I
have noticed that the gradients are saved in a record (5200.1) but I have
not found a way to access it. Direct attempts at printing via "PRINT" and
"VARSAV" from "OPTG" have failed to gather any traction. Any suggestions
would be appreciated.

Zhibo

Input:

***,ADC2T7
memory,800,M

symmetry,nosym
orient,noorient
geometry=geom.xyz

CARTESIAN
basis={
default,vdz
set,mp2fit
default,vdz/mp2fit
set,jkfit
default,vdz/jkfit }

{hf;occ,8;wf,16,1,0}

{lt-df-ladc(2);
grad
laplace,npoints=3,fulld=2
save,6000.2
start,6000.2
local,ORBREL=1,savdom=6350.2,restdom=6350.2
eom,-3.1,precond=0,hscal=1.d0,exfile=6100.2,follow=0,maxexc=1.99,doccs=1,domcha=0.5,adjv=1,INTEXC=0.999,THRDDINT=1.d-10,matdom=5,N_EQBUCK=100,save=6150.2,thrlcd=1.d-7,graddiis=0,start=6150.2,gsonly=0,gradstate=2.1,ONLYTOTZLM=1,savdom=6250.2,restdom=6250.2
eomprint,loceom=-1
eompar,eoml=1,maxdav=30
}

Gradient record:

LADC(2) Gradient info saved on record         5200.1
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