I encountered an error from the beginning of use,I feel blocked, please help me.

Posted on : June 13, 2017 (Tue) 22:29:30

by khadija chafai

Dear Professor,

I am using AkaiKKR for the first time, i am trying to use AkaiKKR for Fe/Cu multilayers but it stopped quickly
and i have this error: err in chklat...inadequate rmt specified.
my in put file is:
#---------------------------------- 0 ----------------------------------
# now # can be used as comment lines as well
#--------------------------------------------
go data/Fe0.95Cu0.05Fe0.95Cu0.05_d bcc 5.428615847391,1.0,1.0,90.0,90.0,90.0,
0.001 1.2 sra vwn mag 2nd
update 5 100 0.020
2
#--------------------------------------------
# name of type, number of components, rtr,
# field, lmax, atomic number, concentration
#--------------------------------------------
Fe_1Cu_1 2 0 0.0 2 26 95
29 5
Fe_2Cu_2 2 0 0.0 2 26 95
29 5
2
0.00000000 0.00000000 0.00000000 Fe_1Cu_1
0.50000000 0.50000000 0.50000000 Fe_2Cu_2