# C in diamond structure; Very rough 2x2x2 special point grid; low ecut. # Only 3 q-points ndtset 1 getwfk 99 irdwfq 1 irdwfkfine 1 nqpt 1 iqpt 3 ieig2rf 1 smdelta 1 rfphon 1 #Size-dependent parameters 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 nband 8 ngkpt 2 2 2 nshiftk 1 shiftk 0.0 0.0 0.0 kptopt 3 ngqpt 2 2 2 qptopt 1 nshiftq 1 shiftq 0.0 0.0 0.0 elph2_imagden 0.1 eV #rfasr 1 # Miscellaneous ntypat 1 znucl 6 diemac 6.0d0 ecut 20 ecutsm 0.5 enunit 2 nstep 30 nsym 1 tolwfr 1.0d-16 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/6c.pspnc" #%% #%% [setup] #%% executable = abinit #%% test_chain = t50.abi, t51.abi, t52.abi, t53.abi, t54.abi #%% [files] #%% files_to_test = #%% t51.abo, tolnlines = 22, tolabs = 1.1e-3, tolrel = 2.0e-4, fld_options = -medium #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% authors = S. Ponc\'e #%% keywords = NC, DFPT, EPH_OLD #%% description = #%% This tests make use of the irdwfkfine variable instead of the getwfkfine variable used in the #%% previous test. The third q-point is computed here. #%% topics = TDepES #%%