################################################################# # Automatic test for ABINIT: # # Test the inclusion of a file in an input file # # # # Silicon, 2 atoms in the box MT 2012 # ################################################################# !Unit cell acell 3*5.43 angstrom rprim 0 1/2 1/2 1/2 0 1/2 1/2 1/2 0 ntypat 1 natom 2 typat 2*1 znucl 14 xred 0 0 0 1/4 1/4 1/4 nband 4 occopt 1 !K-points from include file include "kpoints.include" !Convergence parameters ecut 7. pawecutdg 12. nstep 50 tolvrs 1.d-10 !Miscelaneous prtwf 0 prteig 0 prtden 0 ! To save disk space pp_dirpath "$ABI_PSPDIR" pseudos "si_ps.736.lda" #%% #%% [setup] #%% executable = abinit #%% [shell] #%% pre_commands = iw_cp t02.in.include kpoints.include #%% [files] #%% files_to_test = #%% t02.abo, tolnlines = 0, tolabs = 0.0, tolrel = 0.0 #%% [paral_info] #%% max_nprocs = 6 #%% [extra_info] #%% authors = M. Torrent #%% keywords = PAW #%% description = #%% Test the possibility to include a file into an input file #%% Diamond silicon with few k-points and low cut-off #%% The set of k-points is included in input file from another file #%%