problem on Sm potential
Posted: Tue Jan 21, 2014 3:27 am
Dear my friends
Recently, I am working on SmCo5 system. And a strange thing happened when using Sm paw PBE potential. The warning is:
"WARNING: CNORMN: search vector ill defined"
In fact, the problem also happens in other systems with Sm. But, when using Sm_3 (treat as 3+), everything will be perfect. However, we know it is not right for some systems.
Could one give me some advices or suggestions? Thanks so much in advance!
Thanks
Wen
Recently, I am working on SmCo5 system. And a strange thing happened when using Sm paw PBE potential. The warning is:
"WARNING: CNORMN: search vector ill defined"
In fact, the problem also happens in other systems with Sm. But, when using Sm_3 (treat as 3+), everything will be perfect. However, we know it is not right for some systems.
Could one give me some advices or suggestions? Thanks so much in advance!
Thanks
Wen