[Pw_forum] Does PWSCF have a bug when optimizing the structure in one electric field?
Xiangqian.Hu at duke.edu
Mon Oct 8 15:59:45 CEST 2007
Hi, Dear Users,
I tried to optimize the molecular structure in a saw-like electric field using espresso-3.2. However, the optimization is always failed. I checked the forces through the numerical method. It seems that the forces in a electic field are wrong. Maybe the version I used is old. Does anybody have the same problem?
Thanks for your help.
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