[QE-users] [Probelm] Error in routine natomwfc_per_atom (1): m_start > m_end

[임용식]

Hello all~



I'm now calculating the "vc-relax" of EuTiO3 material using Scalar relativistic pseudopotentials. This material is antiferromanetic since Eu atoms consist of up & down magnetization uniformly.



Recently, the problem occured while calculating "vc-relax" . The error message is as follows:



--------------------------------------------------------------------

Error in routine natomwfc_per_atom (1):

m_start > m_end

--------------------------------------------------------------------



I don't know how to solve this problem. Although I searched the internet to solve this problem, I couldn't find appropriate solution.



Please help me.



Thank you.



Yongsik Lym

Gwangju Institute Science & Technology.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240214/cc7a8b59/attachment.html>