# BCC He : computation of phonon frequencies at
# one quarter of the Gamma-H line
# For the time being, make only dataset 1.
# Seems to be a problem for response functions

 ndtset 1

#Dataset 1 : SCF

 kptopt1  1
 tolvrs1  1.0d-13
 prtden1  1
  nband1  2

#Dataset 2 : NSCF at q close to Gamma
 getwfk2  1
 getden2  1
   iscf2  -2
#The use of kptopt2 1   does not give the same result
#as kptopt2 3, while it should ...
 kptopt2  3
   nqpt2  1
    qpt2 -0.01d0 0.01d0 0.01d0
 tolwfr2  1.0d-18

#Dataset 3 : RF at q=-1/8 1/8 1/8

  getwfk3  1
  getwfq3  2
  kptopt3  3
    nqpt3  1
     qpt3 -0.01d0 0.01d0 0.01d0
 rfatpol3  1 1
   rfdir3  1 1 1
  rfphon3  1
  tolvrs3  1.0d-9

#Common data

 ecut 6.0
 acell 3*4.3
 diemac 3.0
 enunit 2
 natom  1
 nband 1

 nstep 30
 ntypat  1
 rprim  -.5  .5  .5
         .5 -.5  .5
         .5  .5 -.5
 kptrlatt 2  0  2
          0  2  2
         -2 -2  0
 nshiftk 1
 shiftk 0.5 0.5 0.5
 typat  1
 xred  0.0 0.0 0.0
 znucl 2.0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "2he_ca_30t.psp"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t12.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% keywords = NC, DFPT
#%% authors = Unknown
#%% description = 
#%%   BCC Helium q close to Gamma, along Gamma-H
#%%   There is a problem with kptopt=1 or 3 for the NSC step.
#%%<END TEST_INFO>