String method for three geoms

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Hello
I am running string calculation to get mep with three input geom
I was able to run it successfully with freezing the first and the end geoms

Now I am trying to run the same calculation by first freezing those geoms and then relaxing it
also I added the HASMIDDLE which allows the code to use the the "midgeom" geometry to be used as the midpoint (in this case the midgeom is a Transition state)
part of the input with string module
string
nhist 10

nbeads 10

maxiter 20

stepsize 0.10

print_shift 1

HASMIDDLE


# don't allow the end points of the path to move

freeze1 .true.

freezeN .true.

end
task dft string ignore

string
nbeads 20

maxiter 20


# allow the end points of the path to move

freeze1 .false.

freezeN .false.

end
task dft string ignore


the job runs for two beads and then ends with an unspecified error:
"

zts_meps: gradient failed 0




This error has not yet been assigned to a category




For more information see the NWChem manual at http://www.nwchem-sw.org/index.php/NWChem_Documentation"


Please suggest suitable changes

Pansy


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