t04o_DEN
0
2
t04o_VHA
0
2
t04o_VHXC
0
2
t04o_POT
0
0


#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = cut3d
#%% test_chain = t04.in, t05.in
#%% [files]
#%% files_to_test = 
#%%   t05.stdout, tolnlines = 0, tolabs = 0.0, tolrel = 0.0
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Hydrogen dimer in a big cell.
#%%   Read the previously generated files, and analyze them separately, as well as jointly.
#%%   Remarkable values of the separate analysis :
#%%   - the integral of the charge density over the volume of the unit cell is 2.0
#%%   - the mean of the Hartree potential vanishes (G=0) component
#%%   - the mean of the Kohn-Sham and XC potentials are the same (as their difference would come from non-zero G=0
#%%   contributions from the local potential and Hartree potential), that is
#%%   Sum of values, mean, mean times cell volume=   -6.859211E+03   -5.292601E-02   -7.938901E+01
#%%   - the mean of the XC potential -5.292601E-02 is in perfect agreement with the one from the previous run.
#%%   Remarkable values of the joint analysis :
#%%   - the integral of the product of charge density and Hartree potential over the volume of the unit cell is
#%%   1.610148E+00, correctly twice the Hartree energy.
#%%   - the integral of the product of charge density and Kohn-Sham potential over the volume of the unit cell is
#%%   -1.757312E+00, correctly, the difference between the band energy and kinetic energy.
#%%<END TEST_INFO>