error message (wrn in readin .... illegal input:check the following or preceding cards)

Posted on : August 29, 2022 (Mon) 23:02:10

by Shuotong Zong

Dear All,
Good day!
I tried to calculate the energy for Co2CrAl. But I have the following warning:

***wrn in readin...illegal input: check the following or preceding cards
0.000000a 0.000000b 0.000000c Al1

And my input file looks like:

go data/8.1
fcc 8.1 1.0 1.0 90.0 90.0 90.0
0.001 1.5 nrl vwn mag
init update h 90000 0.015
3
Co1 1 0 0 3 27 100.0
Cr1 1 0 0 3 24 100.0
Al1 1 0 0 3 13 100.0
3
0.000000a 0.000000b 0.000000c Al1
0.250000a 0.250000b 0.250000c Co1
0.500000a 0.500000b 0.500000c Cr1

Could you help me with the input file?
Thank you!