ecut 10 ecutsm 0.5 # Interpolation optdriver 7 eph_task 5 qptopt 1 ddb_ngqpt 2 2 2 ddb_shiftq 0.0 0.0 0.0 eph_ngqpt_fine 4 4 4 prtphdos 0 # Dummy parameters tolvrs 1.0e-10 ngkpt 1 1 1 nshiftk 1 shiftk 0.0 0.0 0.0 # Structure acell 3*6.70346805 rprim 0 .5 .5 .5 0 .5 .5 .5 0 natom 2 typat 1 1 xred 3*0.0 3*0.25 ntypat 1 znucl 6 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/6c.pspnc" #%% #%% [setup] #%% executable = abinit #%% test_chain = t61.in, t62.in, t63.in, t64.in, t65.in #%% [shell] #%% pre_commands = #%% ww_cp t62o_DDB t65i_DDB; #%% ww_cp t63o_DVDB t65i_DVDB #%% [files] #%% files_to_test = #%% t65.out, tolnlines = 20, tolabs = 1.1e-3, tolrel = 0.04 #%% [paral_info] #%% max_nprocs = 10 #%% [extra_info] #%% authors = G. Antonius #%% keywords = NC, DFPT, EPH #%% description = #%% Testing of the phonon potential interpolation routines. #%%