#Positron calculation positron 1 ixcpositron 1 acell 3*7.7925 rprim 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 ntypat 1 znucl 13 natom 4 typat 4*1 xred 0.0 0.0 0.0 0.5 0.5 0.0 0.5 0.0 0.5 0.0 0.5 0.5 chkprim 0 ecut 12.0 nband 1 kptopt 0 ngkpt 0. 0. 0. nstep 20 tolvrs 1.0d-9 iscf 17 # Needed for electron-positron pp_dirpath "$ABI_PSPDIR" pseudos "13alpos.psppos" #%% #%% [setup] #%% executable = abinit #%% test_chain = t95.in, t96.in #%% [files] #%% files_to_test = #%% t96.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = #%% Al FCC, in conventional cell (4 atoms/cell). #%% Positron calculation : lifetime and decay rate. #%% topics = positron #%%