# 8-atom Si cube, low ecut, k=(111)/4 (no symm) for relaxation tests.
# forces are completely nutty with k=0

# ABINIT, structural optimization input variables
 ionmov 2
 natfix 7
 iatfix 8 7 6 5 4 3 2
 tolmxf 1.0d-5

# Atomic structure
 acell 3*10.26311d0
 natom  8
 typat  8*1
 xred .001000000000    .000000000000    .000000000000
      .250000000000    .250000000000    .250000000000
      .000000000000    .500000000000    .500000000000
      .250000000000    .750000000000    .750000000000
      .500000000000    .000000000000    .500000000000
      .750000000000    .250000000000    .750000000000
      .500000000000    .500000000000    .000000000000
      .750000000000    .750000000000    .250000000000
 rprim   1 0 0 0 1 0 0 0 1
 znucl 14

# Other variables

 diemac 12.0d0
 ecut 2.99
 enunit 2
 intxc 1
 densfor_pred 1
 irdwfk  1
 kptopt 0
 kpt   1 1 1 -1 1 1 1 -1 1 1 1 -1
 kptnrm 4
 nband 16
 nkpt  4
 nline 3
 nstep 80
 nsym 1
 ntime  6
 ntypat  1
 occ 16*2.0d0
 occopt  0
 prtden 1
 prtpot 1
 prtgeo 4
 tolwfr 1.0d-14
 wtk   4*1

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

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% input_prefix = t27o
#%% test_chain = t27.in, t28.in, t29.in
#%% [files]
#%% files_to_test = 
#%%   t28.out,       tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00;
#%%   t28o_TIM2_GEO, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   brdmin with natfix. 
#%%   Output also DEN, POT and GEO files
#%%<END TEST_INFO>