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

2020-07-10 Thread 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 messag

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

2020-07-09 Thread Jibiao Li
Hi, Minoru What I saw in your email is the garbled codes. Could you please reply again to my email box: jibia...@foxmail.com Let me repeat the previous email I am performing calculations of geometry optimization using lfcpopt (QE develop version), but the calculation always exited after th

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

2020-07-09 Thread 大谷実
From: users on behalf of Jibiao Li Reply-To: Quantum ESPRESSO users Forum Date: Thursday, July 9, 2020 19:58 To: users Subject: [QE-users] Geometry optimization using lfcpopt exited without any error message Dear QE users and developers, I am

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

2020-07-09 Thread Jibiao Li
Dear QE users and developers, I am performing calculations of geometry optimization using lfcpopt (QE develop version), but 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

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

2020-07-09 Thread Jibiao Li
Dear QE users and developers, I am performing calculations of geometry optimization using lfcpopt (QE develop version), but 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