1# -*- coding: utf-8 mode: shell-script -*- 2 3Test : Dressed RDMFT 4Program : octopus 5TestGroups : short-run, functionals 6Enabled : Yes 7 8Processors : 1 9Input: 16-dressed-rdmft.01-ip.inp 10match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1 11match ; IP energy ; GREPFIELD(static/info, 'Total =', 3) ; -1.58545076 12match ; IP eigenvalue ; GREPFIELD(static/info, ' 1 --', 3) ; -0.792725 13 14Processors : 2 15Input: 16-dressed-rdmft.02-hf.inp 16Precision: 0.001 17match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1 18Precision: 1e-8 19match ; dHF converged energy ; GREPFIELD(static/info, 'Total Energy ', 4) ; -0.780547043815 20match ; dHF highest occupation number ; GREPFIELD(static/info, 'Natural occupation numbers', 2, 2) ; 2.0 21Precision: 1e-6 22match ; dHF total mode occupation ; GREPFIELD(static/info, 'Total mode occupation', 4) ;0.066690295387 23 24 25Input: 16-dressed-rdmft.03-rdmft.inp 26Precision: 0.001 27match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1.0 28Precision: 8.7e-04 29match ; dRDMFT converged energy ; GREPFIELD(static/info, 'Total Energy ', 4) ; -0.888946553975 30Precision: 0.0022 31match ; dRDMFT total mode occupation ; GREPFIELD(static/info, 'Total mode occupation', 4) ; 0.083221597038 32Precision: 0.014 33match ; dRDMFT highest occupation number ; GREPFIELD(static/info, 'Natural occupation numbers', 2, 2) ; 1.9229920342595 34