[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.



P.S     I attach Input file("scf.in") & Output one("stdout.txt").



Yongsik Lym

Gwangju Institute Science & Technology.

________________________________
보낸 사람: 임용식
보낸 날짜: 2024년 2월 14일 수요일 오후 3:17
받는 사람: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
제목: [Probelm] Error in routine natomwfc_per_atom (1): m_start > m_end


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.
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