#Test of silicon crystal : RF
#GGA functional
#Note that the number of k points is much too small
#to obtain correct electric field responses
#One should use at least   ngkpt  3*4

 ndtset 5

#First dataset : SC run with 2 kpoints

#Second dataset : d/dk response calculation
   iscf2 -3      rfelfd2 2     getwfk2 1    getden2 1
 getddk2  2
  rfdir2  1 0 0
 kptopt2  2

#Third dataset : phonons and  homogeneous electric field response
  rfelfd3  3
  getwfk3  1
  getddk3  2
   rfdir3  1 1 1
  rfphon3  1
 rfatpol3  1 2
  tolwfr3  1.0d-12
  kptopt3  2

#Fifth and sixth datasets : Finite-differences
 xred4 3*0.0d0  3*0.2501d0    getwfk4 1
 xred5 3*0.0d0  3*0.2499d0    getwfk5 1

 chksymbreak 0

#Common data
 acell   3*10.26
 ecut 6.00
 ixc  11
 ngkpt 3*2
 natom  2
 nband 4
 nshiftk 4
 nstep 30
 ntypat  1
 occopt 1
 prtden 1
 rprim   0.0 0.5 0.5
         0.5 0.0 0.5
         0.5 0.5 0.0
 shiftk  0.5 0.5 0.5
         0.5 0.0 0.0
         0.0 0.5 0.0
         0.0 0.0 0.5
 xred 3*0.00d0 3*0.25d0
 typat  1 1
 tolwfr  1.e-28
 znucl  14

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

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t16.out, tolnlines = 0, tolabs = 1.100e-07, tolrel = 4.000e-04, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC, DFPT 
#%% description = 
#%%   Si crystal. GGA + non-linear XC core correction.
#%%   Compute the interatomic force constant for the displacement of the second atom along (111).
#%%   RF calculation of the 2DTE gives 7.51663417 Ha
#%%   while finite differences gives: with delta(xred)=0.0001, 7.15663267 Ha.
#%%   The agreement is quite good, and might likely be improved by combining finite differences.
#%%   Also compute the ddk and electric field responses. The number of k points is much too small to 
#%%   obtain physical values, but are quite comparable to the result of test v2 #6
#%%<END TEST_INFO>