# grey tin (alpha-tin, nonmetallic)
# computation of Fermi contact at Sn site

toldfe 1.0D-8

prtfc 1

ecut 10
pawecutdg 20

kptrlatt        6    6   -6     -6    6   -6     -6    6    6


#**************************************************************************************
#*                   Generated by cif2cell 1.2.10 2018-06-05 13:42                    *
#*   T. Bjorkman, Comp. Phys. Commun. 182, 1183-1186 (2011). Please cite generously.  *
#*                                                                                    *
#*                 Data obtained from ICSD. Reference number : 40039                  *
#*                                 Sn   (Tin - alpha)                                 *
#* Thewlis, J. and Davey, A.R., Nature (London, United Kingdom) 174, 1011-1011 (1954) *
#**************************************************************************************
# Structural parameters
acell    3*12.2628106081  

rprim    0.000000000000000   0.500000000000000   0.500000000000000 
         0.500000000000000   0.000000000000000   0.500000000000000 
         0.500000000000000   0.500000000000000   0.000000000000000 
       
natom    2  
ntypat   1  
typat    1 1  
znucl    50  
xred     0.000000000000000   0.000000000000000   0.000000000000000 
         0.250000000000000   0.250000000000000   0.250000000000000 

 pp_dirpath "$ABI_PSPDIR"
 pseudos "Sn-GGA-PBE-rpaw-2.70.abinit"
      
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   tnuc_3.out, tolnlines=  3, tolabs=  6.000e-10, tolrel=  3.000e-10
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = J. Zwanziger
#%% keywords = PAW
#%% description = 
#%% topics = SmartSymm
#%%<END TEST_INFO>