# Test silicon linear chain : generate potential and wf at k
# Multiple values of fftcache

 ndtset 3

# DATASET 1. Default fftcache

# DATASET 2. Default fftcache
 fftcache2 1

# DATASET 3. Default fftcache
 fftcache3 128

# Geometry
#-----------------------------
 acell   3*10.00
 natom   2
 ntypat  1
 rprim   1.0 0.0 0.0
         0.0 1.0 0.0
         0.0 0.0 1.0
 typat   1 1
 xred    0.0 0.0 -0.15
         0.0 0.0  0.15
 znucl   14.0


# DFT
#-----------------------------
 densty  1.2
 diemac  12.0d0
 ecut    112
#fftalg  112   This is the default value.
 intxc   1
 istwfk  1 1
 kptopt  0
 kpt     0.00000   0.00000   0.00000
 nband   4
 ngfft   3*96
 nkpt    1
 nline   2
 nstep   2
 nsym    1
 occ     4*2.0d0
 occopt  0
 timopt -1
 tolwfr  1.e-22
 wtk     1.0

# Output
#-----------------------------
 prtvol  10
 prtden  0
 prtwf   0

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosGTH_pwteter/14si.pspgth"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t03.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Chain of Silicon diatomic molecules (1 Si2 molecule in the cell)
#%%   Uses different values of fftcache. Test similar to B3 of the cpu series (case with ecut=112 and ngfft=3*96).
#%%   The default fftcache=16 seems OK :
#%%   With fftcache=1, the tcpu/ncalls/ndata is 0.028 on testf (the reference machine, 20090912)
#%%   With fftcache=16 (the default), the tcpu/ncalls/ndata is 0.021
#%%   With fftcache=128, the tcpu/ncalls/ndata is 0.021
#%%<END TEST_INFO>