[Re:02] moment magnetic zero

Posted on : June 14, 2018 (Thu) 22:04:14

by houssine

Dear Professor Akai;
I did the math with his data
c---------------------------------- 0 ----------------------------------
c now # can be used as comment lines as well
c--------------------------------------------
go data/GaN hex 6.1227,1.60494553,1.0,90.0,90.0,120.0,
0.001 2 sra mjw mag 2nd
update 4 20 0.015
4
c--------------------------------------------
c name of type, number of components, rtr,
c field, lmax, atomic number, concentration
c--------------------------------------------
Zn 2 2.25498243 0.0 2 30 98
27 2
O 1 1.95678211 0.0 2 8 100
Vc1 1 2.54362274 0.0 2 0 100
Vc2 1 1.38628150 0.0 2 0 100
8
1/3a -1/3b 0c Zn
-1/a 1/3b 1/2c Zn
1/3a -1/3b 0.38260c O
-1/3a 1/3b -0.11740c O
0a 0b -0.28286c Vc_1
0a 0b 0.21714c Vc_1
-1/3a 1/3b 0.17776c Vc_2
1/3a -1/3b -0.32224c Vc_2
he gives me these mistakes
file to be accessed=data/ZnO
At line 25 of file source/redata.f
Fortran runtime error: End of file
Error termination. Backtrace:
#0 0x2b5717c01f1a
#1 0x2b5717c02a75
#2 0x2b5717c0322c
#3 0x2b5717ccf1f3
#4 0x2b5717cc6d0e
#5 0x2b5717cc9e36
#6 0x55c3197db3fc
#7 0x55c3197b125e
#8 0x55c31979d3af
#9 0x55c31979b7ff
#10 0x55c3197999ee
#11 0x2b57186853f0
#12 0x55c319799a29
#13 0xffffffffffffffff