mirror of https://github.com/abinit/abinit.git
39 lines
726 B
Plaintext
39 lines
726 B
Plaintext
# Bidimensional layer of magnesium atoms
|
|
# Square lattice
|
|
# Examine the list of k points
|
|
|
|
prtkpt 1
|
|
kptopt 1
|
|
kptrlen 40.0d0
|
|
|
|
acell 2*6.0d0 10.0d0
|
|
|
|
ecut 4.5
|
|
natom 1
|
|
nstep 1
|
|
ntypat 1
|
|
tolvrs 3.0d-20
|
|
typat 1
|
|
xcart 0.0 0.0 0.0
|
|
znucl 12.0
|
|
|
|
pp_dirpath "$ABI_PSPDIR"
|
|
pseudos "PseudosTM_pwteter/12mg.pspnc"
|
|
|
|
#%%<BEGIN TEST_INFO>
|
|
#%% [setup]
|
|
#%% executable = abinit
|
|
#%% expected_failure = yes
|
|
#%% [files]
|
|
#%% files_to_test =
|
|
#%% t62.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
|
|
#%% [paral_info]
|
|
#%% max_nprocs = 1
|
|
#%% [extra_info]
|
|
#%% keywords =
|
|
#%% authors = Unknown
|
|
#%% description =
|
|
#%% 2D square lattice: test the sets of k points generated automatically
|
|
#%% topics = k-points
|
|
#%%<END TEST_INFO>
|