&general title 'butadiene'
&general pool ./pool
&general pseudopot BFD
&general basis BFD-T-normf0

load $(general:pool)/geometry.0
load $(general:pool)/global.inp
load $(general:pool)/BFD-T.bfinfo

load ./TZ_1M_500.det
load ./TZ_1M_15k.orb
load ./jastrow_good_b3lyp.0

&optwf ioptwf 1 ioptci 1 ioptjas 1 ioptorb 1
&optwf method sr_n multiple_adiag 0
&optwf ncore 0 nextorb 280 no_active 0
&optwf nblk_max 200 nopt_iter 2
&optwf sr_tau 0.025 sr_eps 0.001 sr_adiag 0.01
&optwf isample_cmat 0 energy_tol 0.0

load cas1010.sym

jasderiv
4 4 5 0 0 0 0  nparma,nparmb,nparmc,nparmf
  3 4 5 6 (iwjasa(iparm),iparm=1,nparma)
  3 4 5 6 (iwjasa(iparm),iparm=1,nparma)
2 3 4 5 6 (iwjasb(iparm),iparm=1,nparmb)
3 5 7 8 9         11 13 14 15 16     17 18 20 21 23 (c(iparmj),iparmj=1,nparmc)
3 5 7 8 9         11 13 14 15 16     17 18 20 21 23 (c(iparmj),iparmj=1,nparmc)
end

&blocking_vmc nstep 20 nblk 200 nblkeq 1 nconf_new 0
&blocking_dmc nstep 250 nblk 50 nblkeq 1 nconf 100 nconf_new 0

&dmc tau 0.05 etrial -10.0
&dmc icasula -1