# -*- coding: utf-8 mode: shell-script -*-

Test       : XC Functionals 1D
Program    : octopus
TestGroups : short-run, functionals
Enabled    : Yes

Input: 01-xc_1d.01-wfs-lda.inp
match ; SCF convergence                          ; GREPCOUNT(static/info, 'SCF converged') ; 1
match ; LDA Total Energy                         ; GREPFIELD(static/info, 'Total       =', 3) ; -4.17967691
match ; LDA Exchange                             ; GREPFIELD(static/info, 'Exchange    =', 3) ; -1.00241236
match ; LDA Correlation                          ; GREPFIELD(static/info, 'Correlation =', 3) ; -0.04057719
match ; LDA Int[n*v_xc]                          ; GREPFIELD(static/info, 'Int\[n\*v_xc\] =', 3) ; -1.30968982
match ; LDA Eigenvalue 1 up                      ; GREPFIELD(static/info, '  1   up', 3) ; -0.797111
match ; LDA Eigenvalue 2 up                      ; GREPFIELD(static/info, '  2   up', 3) ; -0.167277
match ; LDA Eigenvalue 1 dn                      ; GREPFIELD(static/info, '  1   dn', 3) ; -0.775174
match ; LDA Eigenvalue 2 dn                      ; GREPFIELD(static/info, '  2   dn', 3) ; -0.087427

Input: 01-xc_1d.02-wfs-hf.inp
match ; SCF convergence                          ; GREPCOUNT(static/info, 'SCF converged') ; 1
match ; Hartree-Fock Total Energy                ; GREPFIELD(static/info, 'Total       =', 3) ; -4.19644929
match ; Hartree-Fock Eigenvalue 1 up             ; GREPFIELD(static/info, '  1   up', 3) ; -1.126189
match ; Hartree-Fock Eigenvalue 2 up             ; GREPFIELD(static/info, '  2   up', 3) ; -0.315508
match ; Hartree-Fock Eigenvalue 1 dn             ; GREPFIELD(static/info, '  1   dn', 3) ; -1.071001
match ; Hartree-Fock Eigenvalue 2 dn             ; GREPFIELD(static/info, '  2   dn', 3) ;  0.003012

Input: 01-xc_1d.lda_csc.inp
match ; LDA CSC Eigenvalue 1 up                  ; GREPFIELD(static/info, '  1   up', 3) ; -0.775640
match ; LDA CSC Eigenvalue 2 up                  ; GREPFIELD(static/info, '  2   up', 3) ; -0.154591
match ; LDA CSC Eigenvalue 1 dn                  ; GREPFIELD(static/info, '  1   dn', 3) ; -0.750023
match ; LDA CSC Eigenvalue 2 dn                  ; GREPFIELD(static/info, '  2   dn', 3) ;  0.002939
match ; LDA Exchange                             ; GREPFIELD(static/info, 'Exchange    =', 3) ; -1.01931500
match ; LDA CSC Correlation                      ; GREPFIELD(static/info, 'Correlation =', 3) ; -0.03745068
match ; LDA CSC Int[n*v_xc]                      ; GREPFIELD(static/info, 'Int\[n\*v_xc\] =', 3) ; -1.32191340

Input: 01-xc_1d.oep_kli.inp
Precision :  1.1e-03
match ; OEP KLI Eigenvalue 1 up                  ; GREPFIELD(static/info, '  1   up', 3) ; -0.948877
match ; OEP KLI Eigenvalue 2 up                  ; GREPFIELD(static/info, '  2   up', 3) ; -0.315508
match ; OEP KLI Eigenvalue 1 dn                  ; GREPFIELD(static/info, '  1   dn', 3) ; -1.071001
match ; OEP KLI Eigenvalue 2 dn                  ; GREPFIELD(static/info, '  2   dn', 3) ; -0.002973
match ; OEP KLI Exchange                         ; GREPFIELD(static/info, 'Exchange    =', 3) ; -1.07717828
match ; OEP KLI Int[n*v_xc]                      ; GREPFIELD(static/info, 'Int\[n\*v_xc\] =', 3) ; -1.97704513

Input: 01-xc_1d.oep_exx.inp
match ; OEP EXX Eigenvalue 1 up                  ; GREPFIELD(static/info, '  1   up', 3) ; -0.948877
match ; OEP EXX Eigenvalue 2 up                  ; GREPFIELD(static/info, '  2   up', 3) ; -0.315508
match ; OEP EXX Eigenvalue 1 dn                  ; GREPFIELD(static/info, '  1   dn', 3) ; -1.071001
match ; OEP EXX Eigenvalue 2 dn                  ; GREPFIELD(static/info, '  2   dn', 3) ; -0.002973
match ; OEP Exact Exchange                       ; GREPFIELD(static/info, 'Exchange    =', 3) ; -1.07717828
match ; OEP EXX Int[n*v_xc]                      ; GREPFIELD(static/info, 'Int\[n\*v_xc\] =', 3) ; -1.97704512