# Oxygen molecule, treated like a metal, with nsppol=2 and GGA
# The pseudopotential includes a core charge,
# inducing non-linear XC core correction
# Very careful calculation, using high value of isecur, and nnsclo

 acell  6.500  6.500  9.000

 diemac 1.0d0
 diemix 0.333333333333d0
 ecut 13.00
 isecur 4
 iscf 6
 ixc 11
 kptopt 0

 kpt   3*0.0
 natom  2
 nband 8
 nkpt 1
 nline 6
 nnsclo 4
 nsppol 2
 nstep 15
 nsym 1
 ntypat  1
 occopt 7
 rprim 1 0 0  0 1 0  0 0 1
 spinat 0.0 0.0 1.0
        0.0 0.0 1.0
 toldff 1.d-8
 tsmear 0.02
 typat  1 1
 wtk  1
 xred  0.0 0.0  0.1155     0.0 0.0 -0.1155
 znucl  8.0

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/8o.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t51.out  ,tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% keywords = 
#%% authors = Unknown
#%% description = 
#%%   O2 (nsppol=2, non-linear XC core correction, GGA)    
#%%   Similar to test50, except use iscf=6 .
#%% topics = SCFAlgorithms
#%%<END TEST_INFO>