# BCC Nb : computation of phonon frequencies at
# one quarter of the Gamma-H line

 ndtset 2

#Dataset 1 : SCF

  kptopt1  1
  tolvrs1  1.0d-16

#Dataset 2 : RF at q=-1/8 1/8 1/8

  getwfk2  1
  kptopt2  3
    nqpt2  1
     qpt2 -0.125d0 0.125d0 0.125d0
 rfatpol2  1 1
   rfdir2  1 1 1
  rfphon2  1
  tolvrs2  1.0d-9

#Common data

 ecut 7.0
 acell 3*6.12
 enunit 2
 ixc    1
 natom  1
 nband 6

 nstep 30
 ntypat  1
 occopt 4
 rprim  -.5  .5  .5
         .5 -.5  .5
         .5  .5 -.5

 kptrlatt 4  0  4
          0  4  4
         -4 -4  0
 nshiftk 1
 shiftk 0.5 0.5 0.5

 tsmear 0.015
 typat  1
 xred  0.0 0.0 0.0
 znucl 41.0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "41nb.pspfhi"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t99.out, tolnlines = 6, tolabs = 1.100e-03, tolrel = 7.000e-04, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 8
#%% [extra_info]
#%% keywords = NC, DFPT
#%% authors = Unknown
#%% description = 
#%%   Nb BCC along the Gamma-H direction
#%%   Remnant of the bug search of winter 2000-2001. 
#%%<END TEST_INFO>