# Taken from v1/t78. Used to check the XML output
#   v1/t78:
#   Si in diamond structure; 2 special points; low ecut.
#   Cell optimisation, very low cut-off, still meaningfull.

 ecut 2.0

 acell 3*10.40d0
 dilatmx 1.01
 ecutsm 0.5
 intxc 1
 ionmov 2     ntime 4
 optcell 1
 strfact 100.

 diemac 12.0d0
 enunit 2
 kptopt 0

 kpt   1 1 1     1 2 2   kptnrm 4
 natom  2 nband 4
 nkpt  2
 nline 3   nstep 10
 nsym  24   ntypat  1
 occopt  1
 rprim   0 .5 .5  .5 0 .5  .5 .5 0
 symrel
  1  0  0   0  1  0   0  0  1
  0  1 -1   1  0 -1   0  0 -1
  0 -1  1   0 -1  0   1 -1  0
 -1  0  0  -1  0  1  -1  1  0
  0  1  0   0  0  1   1  0  0
  1  0 -1   0  0 -1   0  1 -1
  0 -1  0   1 -1  0   0 -1  1
 -1  0  1  -1  1  0  -1  0  0
  0  0  1   1  0  0   0  1  0
  0  0 -1   0  1 -1   1  0 -1
  1 -1  0   0 -1  1   0 -1  0
 -1  1  0  -1  0  0  -1  0  1
  1  0 -1   0  1 -1   0  0 -1
  0  1  0   1  0  0   0  0  1
 -1  0  1  -1  0  0  -1  1  0
  0 -1  0   0 -1  1   1 -1  0
 -1  1  0  -1  0  1  -1  0  0
  1 -1  0   0 -1  0   0 -1  1
  0  0 -1   1  0 -1   0  1 -1
  0  0  1   0  1  0   1  0  0
  0 -1  1   1 -1  0   0 -1  0
 -1  0  0  -1  1  0  -1  0  1
  1  0  0   0  0  1   0  1  0
  0  1 -1   0  0 -1   1  0 -1
 tnons 72*0.0
 toldfe 1.0d-10
 tolmxf 1.0d-4
 typat  1 1
 wtk   1 3
 xred 3*0.00d0 3*0.25d0
 znucl 14

 prtxml 1



 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/14si.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t79.out,      tolnlines = 0, tolabs = 1.000e-09, tolrel = 1.000e-10, fld_options = -medium;
#%%   t79o_LOG.xml, tolnlines = 0, tolabs = 1.000e-09, tolrel = 1.000e-10, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC, XML 
#%% description = 
#%%   Make a simple geometry relaxation and validate the XML output (testing prtxml).
#%% topics = GeoOpt
#%%<END TEST_INFO>