1# -*- coding: utf-8 mode: shell-script -*- 2 3Test : Tkatchenko-Scheffler van der Waals correction (self-consistent) 4Program : octopus 5TestGroups : short-run, functionals 6Enabled : Yes 7 8Input : 09-vdw_ts_sc.01-gs.inp 9match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1 10match ; Total energy ; GREPFIELD(static/info, 'Total =', 3) ; -28.74029002 11match ; Ion-ion energy ; GREPFIELD(static/info, 'Ion-ion =', 3) ; 26.63589006 12match ; Eigenvalues sum ; GREPFIELD(static/info, 'Eigenvalues =', 3) ; -7.56476473 13match ; Hartree energy ; GREPFIELD(static/info, 'Hartree =', 3) ; 50.16257235 14match ; Int[n*v_xc] ; GREPFIELD(static/info, 'Int\[n\*v_xc\] =', 3) ; -9.95538894 15match ; Exchange energy ; GREPFIELD(static/info, 'Exchange =', 3) ; -6.71084273 16match ; Correlation energy ; GREPFIELD(static/info, 'Correlation =', 3) ; -0.89273417 17match ; van der Waals energy ; GREPFIELD(static/info, 'vanderWaals =', 3) ; -0.00065504 18match ; Kinetic energy ; GREPFIELD(static/info, 'Kinetic =', 3) ; 20.76375306 19match ; External energy ; GREPFIELD(static/info, 'External =', 3) ; -118.69827209 20match ; Non-local energy ; GREPFIELD(static/info, 'Non-local =', 3) ; -7.41203776 21match ; Eigenvalue 1 up ; GREPFIELD(static/info, ' 1 --', 3) ; -0.931494 22match ; Eigenvalue 2 up ; GREPFIELD(static/info, ' 2 --', 3) ; -0.750892 23match ; Eigenvalue 3 up ; GREPFIELD(static/info, ' 3 --', 3) ; -0.490522 24match ; Eigenvalue 4 up ; GREPFIELD(static/info, ' 4 --', 3) ; -0.404059 25match ; Eigenvalue 5 up ; GREPFIELD(static/info, ' 5 --', 3) ; -0.402411 26match ; Eigenvalue 6 up ; GREPFIELD(static/info, ' 6 --', 3) ; -0.332379 27match ; Eigenvalue 7 up ; GREPFIELD(static/info, ' 7 --', 3) ; -0.265669 28match ; Eigenvalue 8 up ; GREPFIELD(static/info, ' 8 --', 3) ; -0.204957 29