24-May-2017 14:17:50 cpu used 0.00 sec elapsed time 0.00 sec ( 1 threads)

Posted on : May 24, 2017 (Wed) 23:27:52

by sellam abdellah

24-May-2017
14:17:50
cpu used 0.00 sec
elapsed time 0.00 sec ( 1 threads)

Dear Professeur

I tried to run Akai kkr for ZnO cf8 but i have this error:

cpu used 0.00 sec
elapsed time 0.00 sec ( 1 threads)


there is my input file:
c------------------------------------------------------------
go data/ZnO
c------------------------------------------------------------
c brvtyp a c/a b/a alpha beta gamma
sm 8.056 , , , 90 , 90 , 90 ,
c------------------------------------------------------------
c edelt ewidth reltyp sdftyp magtyp record
0.001 1.2 sra mjw mag 2nd
c------------------------------------------------------------
c outtyp bzqlty maxitr pmix
update 2 200 0.023
c------------------------------------------------------------
c ntyp
2
c------------------------------------------------------------
c type ncmp rmt field mxl anclr conc
Zn 1 1 0.0 2 30 100
O 1 1 0.0 2 8 100
c------------------------------------------------------------
c natm
8
c------------------------------------------------------------
c atmicx atmtyp
0.000000000a 0.000000000a 0.000000000a Zn
0.500000000a 0.500000000a 0.500000000a O

c------------------------------------------------------------
thank you