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
problem on Sm potential
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problem on Sm potential
Last edited by wen on Sun Jan 19, 2014 8:46 am, edited 1 time in total.
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problem on Sm potential
sorry, but you provide too little information to answer your question.
If the error does not show up with SM_3 PPs, it simply indicates that the f Sm electrons are localized in the core in these systems.
If the error does not show up with SM_3 PPs, it simply indicates that the f Sm electrons are localized in the core in these systems.
Last edited by admin on Tue Feb 04, 2014 6:27 pm, edited 1 time in total.