[CP2K-user] [CP2K:11773] Re: missing atoms in cell after REORDER
Mozhdeh
mozhdehmo... at gmail.com
Sat Jun 22 09:19:54 UTC 2019
>
> Dear experts
I did what Travis said, but again the same problem occurred! there are
exactly 700 atoms in the cif file but clearly there are 328 atoms in the
out-put file. would any one can find out where does the problem originate?
TIA
Mozhdeh
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