

(mctdh84 -mnd pyr4 && mctdh84 -pes pyr4 && cd pyr4 && adpop84)&

(mctdh84 -mnd pyr6 && mctdh84 -pes pyr6 && cd pyr6 && adpop84)&

cd pyr4
showsys84 -pes
plstate -G
plspec -G -0.5 1.5 ev
plspec -G 0.4 1.4 ev
plspec -G 0.4 1.4 ev 40 2

autospec84 -o spec40.pl -e -0.687485 eV -0.4 0.8 ev 40 2
rdcheck84 -on no

cd ../pyr6
autospec84 -o spec80.pl -e -1.030635 eV -0.4 0.8 ev 80 2
rdcheck84 -on no

plspec -G 0.6 2.0 ev
plgen -G -u 1:4 spec80.pl ../pyr4/spec40.pl
plgen -G -u 1:4 spec80.pl ../pyr4/spec40.pl ../p24+/spec120.pl
plgen -G -u 1:4 ../p24+/spec.pl ../p24+/spec120.pl

plgen -G -u 1:4 auto ../pyr4/auto ../p24+/auto
plgen -a 20 -G -u 1:4 auto ../pyr4/auto ../p24+/auto

probsq84 -a 20
probsq84 -a 20 -i ../pyr4/auto
probsq84 -a 20 -i ../p24+/auto

plgen -G -x 150 -u 1:3 chk.pl ../pyr4/chk.pl ../p24+/chk.pl
plgen -G -x 150 -u 1:3 adp ../pyr4/adp
plgen -a 20 -x 150 -y 0.5 -G adp 1:3 - 1:5 ../pyr4/adp 1:3 - 1:5

