#   FCC Al; 10 special points

#timopt -1

 acell 3*7.56
 densty 1.2
 ecut 10

 enunit 2  

 localrdwf 1
 nkpt 10
 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 6
 nline 3  nstep 20
 ntypat  1
 occopt  4  prtden 1   prtvol 10
  tsmear 0.04 # to ensure good portability of the test
 paral_kgb 0
 rprim   0 .5 .5  .5 0 .5  .5 .5 0
 timopt 2
 tnons   72*0.0d0
 tolvrs 1.0d-18
 typat  1  
 xred  0.0 0.0 0.0
 znucl 13.0



 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosGTH_pwteter/13al.pspgth"

#%%<BEGIN TEST_INFO>
#%% [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 = t51_MPI1.out, tolnlines=   0,   tolabs=  0.0,      tolrel= 0.0
#%% post_commands = 
#%%   ww_cp t51_MPI1o_DEN t52_MPI1i_DS1_DEN;
#%%   ww_mv t51_MPI1o_DEN t52_MPI1i_DS2_DEN;
#%%   ww_cp t51_MPI1o_WFK t53_MPI1i_WFK;
#%%   ww_mv t51_MPI1o_WFK t53_MPI1i_WFQ;
#%% [NCPU_2]
#%% files_to_test = t51_MPI2.out, tolnlines=   0,   tolabs=  0.0,      tolrel= 0.0
#%% post_commands = 
#%%   ww_cp t51_MPI2o_DEN t52_MPI2i_DS1_DEN;
#%%   ww_mv t51_MPI2o_DEN t52_MPI2i_DS2_DEN;
#%%   ww_cp t51_MPI2o_WFK t53_MPI2i_WFK;
#%%   ww_mv t51_MPI2o_WFK t53_MPI2i_WFQ;
#%% [NCPU_4]
#%% files_to_test = t51_MPI4.out, tolnlines=   0,   tolabs=  0.0,      tolrel= 0.0
#%% post_commands = 
#%%   ww_cp t51_MPI4o_DEN t52_MPI4i_DS1_DEN;
#%%   ww_mv t51_MPI4o_DEN t52_MPI4i_DS2_DEN;
#%%   ww_cp t51_MPI4o_WFK t53_MPI4i_WFK;
#%%   ww_mv t51_MPI4o_WFK t53_MPI4i_WFQ;
#%% [NCPU_10]
#%% files_to_test = t51_MPI10.out, tolnlines=   0,   tolabs=  0.0,      tolrel= 0.0
#%% post_commands = 
#%%   ww_cp t51_MPI10o_DEN t52_MPI10i_DS1_DEN;
#%%   ww_mv t51_MPI10o_DEN t52_MPI10i_DS2_DEN;
#%%   ww_cp t51_MPI10o_WFK t53_MPI10i_WFK;
#%%   ww_mv t51_MPI10o_WFK t53_MPI10i_WFQ;
#%% [extra_info]
#%% keywords = NC
#%% authors = Unknown
#%% description = FCC Al metallic; 10 special points
#%% topics = parallelism
#%%<END TEST_INFO>