x optimize
#!/bin/csh -f
foreach i ( \
tic_vol_-10.0 \
tic_vol__-5.0 \
tic_vol___0.0 \
tic_vol___5.0 \
tic_vol__10.0 \
)
cp $i.struct tic.struct
# cp $i.clmsum tic.clmsum
# x dstart
# run_lapw -ec 0.0001 -in1new 3 -in1orig -renorm
run_lapw -ec 0.0001
set stat = $status
if ($stat) then
echo "ERROR status in" $i
exit 1
endif
save_lapw $i
# save_lapw -f -d XXX $i
end
optimize.job
using w2web