[QE-users] Fwd: Error while parsing atomic position card

[hamed asadi]

Dear qe users; 

I'm trying to relax cobalt doped graphene (the input file is attached bellow) but after starting calculations the fallowing error appeared. 
could someone help me with this issue? 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 
task # 0 
from card_atomic_positions : error # 1 
Error while parsing atomic position card. 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 

&CONTROL 
calculation = 'relax' , 
restart_mode = 'from_scratch' , 
etot_conv_thr = 1.0E-8 , 
forc_conv_thr = 1.0D-8 , 
outdir='/root/Desktop/PROJECT/g22Co/out', 
pseudo_dir = '/root/Desktop/PROJECT/g22Co/pp', 
wf_collect=.true. 
tprnfor = .true. 
tstress = .true. 
verbosity= 'low' 
/ 
&SYSTEM 
ibrav = 4, 
celldm(1) = 9.285, 
celldm(3) = 3.053, 
nbnd = 100, 
nat = 9 , 
ntyp = 2 , 
ecutwfc = 40 , 
ecutrho = 400, 
occupations = 'smearing' , 
degauss= 0.01 , 
smearing= 'gaussian', 
/ 
&ELECTRONS 
mixing_beta = 0.7 
conv_thr = 1.D-8 , 
/ 
&IONS 
ion_dynamics= 'bfgs' 
/ 
&CELL 
cell_dynamics = 'bfgs' , 
cell_factor = 2 
/ 
ATOMIC_SPECIES 
C 12.0107 C.pbe-n-rrkjus_psl.0.1.UPF 
Co 58.9332 Co.pbe-spn-rrkjus_psl.0.3.1.UPF 
ATOMIC_POSITIONS (angstrom) 
C 1.2284272880 0.7093165930 7.5000000000 
C 0.0000725580 1.4185075120 7.5000000000 
C 0.0000574330 2.8369155920 7.5000000000 
C -1.2282972970 3.5461065110 7.5000000000 
C 3.6851669970 0.7093165930 7.5000000000 
C 2.4568122670 1.4185075120 7.5000000000 
C 2.4567971420 2.8369155920 7.5000000000 
C 1.2284424120 3.5461065110 7.5000000000 
Co 1.2284348500 2.127711552‬0 10.5000000000 
K_POINTS {automatic} 
8 8 1 0 0 0 

Best regards, 
Hamed Asadi, 
KN Toosi university of technology 
+989126193984 


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