File: input.dat

package info (click to toggle)
psicode 3.4.0-6
  • links: PTS, VCS
  • area: main
  • in suites: bookworm, bullseye, buster, stretch
  • size: 46,416 kB
  • ctags: 18,563
  • sloc: cpp: 291,425; ansic: 12,788; fortran: 10,489; perl: 3,206; sh: 2,702; makefile: 2,205; ruby: 2,178; yacc: 110; lex: 53
file content (20 lines) | stat: -rw-r--r-- 291 bytes parent folder | download | duplicates (6)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
% cc-pVDZ/CCSD-LR static dipole polarizabilities

psi: (
  label = "cc-pVDZ/CCSD HOF static polarizability"
  jobtype = sp
  wfn = ccsd
  reference = rhf
  dertype = response

  omega = 0.0
  mu_irreps = (0 0 1)

  basis = "cc-pVDZ"
  zmat = (
    o
    h 1 0.97
    f 1 0.97 2 103.0
  )
)