# Silicon supercell with 8 atoms with positions randomly perturbed
# Testing of the tolmxde variable

 tolmxde 0.0008 eV
 tolmxf 0.0


# Basis set, kpoints and bands
 ecut 6.0
 kptopt 1
 ngkpt 2 2 2
 nshiftk 1
 shiftk    0.5    0.5    0.5
 nband 16

# SCF tolerance
 toldfe 0.00008 eV

# Relaxation
 ionmov 2
 optcell 0
 ntime 10

# Structure
 acell    1.0    1.0    1.0
 xred
   2.8317264306d-04   2.2399824783d-04    0.9991600219
    0.7495106613    0.7494592309    0.2505513996
   6.9155847467d-04    0.4995412845    0.4996162657
    0.7500780288    0.2493020605    0.7505854204
    0.5003761004    0.9994644496    0.5006384821
    0.2504214086    0.7494355956    0.7494170870
    0.5000109700    0.4991817367   4.0773750321d-04
    0.2507567513    0.2500155061    0.2505128471
 rprim
   10.3343980990    0.0000000000    0.0000000000
    0.0000000000   10.3343980990    0.0000000000
    0.0000000000    0.0000000000   10.3343980990
 typat
 1 1 1
 1 1 1
 1 1
 natom 8
 ntypat 1
 znucl 14

## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t15.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0
#%% psp_files = 14si.pspnc
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = D. Waroquiers
#%% keywords = 
#%% description = 
#%%   Test tolmxde input variable. For silicon supercell with atomic positions randomly displaced
#%%<END TEST_INFO>
