[Wien] AFM calculation for NiO
Ye Zhu
zhuy6 at univmail.cis.mcmaster.ca
Tue Oct 28 21:29:31 CET 2003
Many thanks for all information about NiO structure. I am trying AFM
calculation now. However, there is always an error in "x afminput -up"
as shown below:
NO MATCH: atoms 3/ 3 L= 0 M= 0 0.117480272E+01
0.143794146E+01
Do you want them to be identical ? (y/n)
Now checking the K-vectors:
forrtl: error (72): floating overflow
0: __FINI_00_remove_gp_range [0x3ff81a6de38]
1: __FINI_00_remove_gp_range [0x3ff81a76a20]
2: __FINI_00_remove_gp_range [0x3ff800d59a0]
3: __FINI_00_remove_gp_range [0x3ff80249ae4]
4: __FINI_00_remove_gp_range [0x3ff80249094]
5: __FINI_00_remove_gp_range [0x3ff80272630]
6: afminput_ [afminput.f: 350, 0x1200057c0]
7: main [for_main.c: 203, 0x120006ddc]
8: __start [0x120002238]
Abort process
0.02u 0.02s 0:00 50% 0+4k 3+5io 0pf+0w
Does anyone know what this error mean? Thanks a lot.
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