[QE-users] error: from sym_rho_init_shell : lone vector

Geng Sun sungengdft at outlook.com
Thu Dec 29 13:40:26 CET 2022


Dear all,
I am stuck by a strange error like:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #        57
     from sym_rho_init_shell : error #         2
     lone vector
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I have attached the input file and the CRASH file I got from the job.
How can I fix it?
Thank you very much in advance.
Best,
Geng

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