You have some whitespace character at the end of the filename, so it
looks like the same name but it is not.
erxxx groupyyy 54370 May 3 16:49 mos2_nscf.in
-rw-r--r-- 1 userxxx groupyyy 2242 May 6 17:16 "mos2_nscf.out"
-rw-r--r-- 1 userxxx groupyyy 1865 May 3 17:28 "mos2_nscf.out "
-rw-r--r-- 1 userxxx groupyyy 1132 May 3 16:43 "mos2_scf.in"
-rw-r--r-- 1 userxxx groupyyy 30626 May 6 17:16 "mos2_scf.out"
-rw-r--r-- 1 userxxx groupyyy 30287 May 3 17:27 "mos2_scf.out "
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