The input file of DOS not work

Posted on : January 08, 2018 (Mon) 20:12:54

by MOUNA

Dear colleagues can someone help me
I want to compute the DOS of my system but the file out gives errors one running DOS computation.
when I calculate go it worked; but for the DOS it does not work and here is my input file:



dos data/MnAsP_dos
hcp 6.99 , , , , , ,
0.001 1.2 nrlls vbh mag 2nd
quit 5 200 0.025
2
#--------------------------------------------
# name of type, number of components, rtr,
# field, lmax, atomic number, concentration
#--------------------------------------------
Mn 1 1 0 2 25 100
As_P 2 0 0 2 33 98
15 2

4
0.00000000 0.00000000 0.00000000 Mn
0.00000000 0.00000000 0.77027027 Mn
0.28867513 0.50000000 0.38513514 As_P
0.57735027 0.00000000 1.15540541 As_P

Thank you in advance .
By MOUNA