# FCC Al; phonon at 1/4 1/8 1/8 istatr 1000 irdwfk 1 irdwfq 1 nbdbuf 3 rfphon 1 rfatpol 1 1 rfdir 1 1 1 nqpt 1 qpt 0.25 -0.125 0.125 acell 3*7.56 densty 1.2 ecut 10 enunit 2 kptopt 3 localrdwf 1 nkpt 256 ngkpt 4 4 4 nshiftk 4 shiftk 0.5 0.5 0.5 0.5 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.5 natom 1 nband 5 nstep 20 ntypat 1 amu 26.96 occopt 4 paral_kgb 0 rprim 0 .5 .5 .5 0 .5 .5 .5 0 timopt 2 tolvrs 1.0d-10 typat 1 xred 0.0 0.0 0.0 znucl 13.0 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosGTH_pwteter/13al.pspgth" #%% #%% [setup] #%% executable = abinit #%% test_chain = t51.in, t52.in, t53.in #%% [files] #%% [paral_info] #%% nprocs_to_test = 1, 2, 4, 10 #%% max_nprocs = 10 #%% [NCPU_1] #%% files_to_test = t53_MPI1.out, tolnlines= 6, tolabs= 2.0e-6, tolrel= 3.0e-7, fld_options = -medium #%% [NCPU_2] #%% files_to_test = t53_MPI2.out, tolnlines= 6, tolabs= 2.0e-6, tolrel= 3.0e-7, fld_options = -medium #%% [NCPU_4] #%% files_to_test = t53_MPI4.out, tolnlines= 6, tolabs= 2.0e-6, tolrel= 3.0e-7, fld_options = -medium #%% [NCPU_10] #%% files_to_test = t53_MPI10.out, tolnlines= 6, tolabs= 2.0e-6, tolrel= 3.0e-7, fld_options = -medium #%% [extra_info] #%% keywords = NC, DFPT #%% authors = Unknown #%% description = FCC Al metallic; 10 phonon at 1/4 1/8 1/8 #%%