[Pw_forum] MoO3 input

[hamed asadi]

dear all, 
I'm trying to create MoO3 input file by using space group but I can't open it in xcrysden, I don't know where is my bug!! I'll appreciate if someone helps me. 
There is my input: 

&control 
calculation = 'scf', 
restart_mode='from_scratch', 
pseudo_dir = './', 
outdir='./' 
/ 
&SYSTEM 
ibrav = 8, 
a = 3.944, 
b = 13.982, 
c= 3.737, 
cosab=90, cosac=90, cosbc=90, 
nat = 4, 
ntyp = 2, 
space_group = 62, 
ecutwfc = 30, 
occupations='tetrahedra', 
smearing='gauss', 
degauss=0.01, 
/ 
&Ions 
/ 
&Cell 
/ 
&electrons 
mixing_beta = 0.4, 
conv_thr = 1.0e-4, 
/ 
ATOMIC_SPECIES 
Mo 95.96000 Mo.pbe-dn-rrkjus_psl.0.2.UPF 
O 15.99900 O.pbe-dn-rrkjus_psl.0.2.UPF 
ATOMIC_POSITIONS {crystal_sg} 
Mo 4c 0.085030000000000 0.101330000000000 0.250000000000000 
O 4c 0.034800000000000 0.221200000000000 0.250000000000000 
O 4c 0.521100000000000 0.088070000000000 0.250000000000000 
O 4c 0.501900000000000 0.436100000000000 0.250000000000000 
K_POINTS automatic 
4 4 4 0 0 0 

Thank you in advance. 
H. Asadi 
K. N. Toosi university of technology 


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