[QE-users] Geometry optimization using lfcpopt exited without any error message

[Jibiao Li]

Dear QE users and developers,


I can not continue with my calculations of geometry optimization using lfcpopt (QE develop version), because the calculation always exited after the first step of the optimization. Prior to the second optimization step, It simply stopped after the following message:


     Writing output data file ./atop.save/
(exited without any error message)


What's wrong with my calculations? Is it a bug of the code?



The input file is attatched for further examination. Please help me resolve this unexpected error



Dr. Jibiao Li, 
Department of Material Science and Engineering
Yangtze Normal University
Juxian Dadao 16#, Fuling, Chongqing, China
Email: jibiaoli at yznu.edu.cn, jibiaoli at foxmail.com, jibiao.li at hotmail.com
Homepage: https://www.researchgate.net/profile/Jibiao_Li
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