# Rhombohedral Bi treated as a semiconductor
# 2x2x2 grid, automatically generated, unlike with
# Test_v3#2 . Should give exactly the same results.
# Execute only datasets 8 and 10.

 ndtset 2
 jdtset 8 10

#Dataset 8 : GS with spin-orbit
 tolvrs8  1.0d-20
 kptopt8  1

#Dataset 10 : RF with spin-orbit
 nqpt10     1
 qpt10      3*0.0d0
 rfphon10   1
 getwfk10   8
 kptopt10   2
 toldfe10   1.1d-12
  nstep10   15

#Common data
 acell 3*9.0d0
 angdeg 3*57.25d0
 ecut  2.0d0
 natom  2
 nband  10
 ngkpt  2 2 2
 nspinor 2
 nstep 20
 ntypat  1
 rfatpol   1 1
 rfdir     1 0 0
 typat  1 1
 xred  3*0.231d0
       3*-0.231d0
 znucl 83.d0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosHGH_pwteter/83bi.5.hgh"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t14.out, tolnlines = 6, tolabs = 2.000e-01, tolrel = 3.000e-01, fld_options = -easy 
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC, DFPT
#%% description = 
#%%     Bi A7 structure (2 atoms per unit cell),
#%%     using the HGH pseudopotential, within LDA.
#%%     Fixed cell dimensions. Treated as a semi-conductor
#%%     Test the response to atomic displacements,
#%%     with spin-orbit. Should give the same answer
#%%     than test 2, except that the k point grid is now
#%%     defined automatically.
#%%     Dataset 8 : frozen-phonon with spin-orbit
#%%     Dataset 10 : RF with spin-orbit.
#%%     The agreement is as good as without
#%%     spin-orbit ! Frozen-phonon 2DTE=2.48156,
#%%     RF 2DTE=2.48156 .
#%%     Warning : the output file of this test 
#%%     is machine-dependent, although the final
#%%     result is not. This is because the
#%%     degeneracy of the GS wavefunctions with
#%%     different spin orientation has not been broken.
#%%<END TEST_INFO>