[Wien] (no subject)

[sikandar azam]

Dear All
PLease help regarding this problem
>   sgroup      (11:02:38) Error: duplicated atoms found! Atoms #1 and #3 coincide.
Error: duplicated atoms found! Atoms #1 and #3 coincide.
diff: Sr.outputsgroup: No such file or directory
diff: Sr.outputsgroup1: No such file or directory
Error: duplicated atoms found! Atoms #1 and #3 coincide.
0.000u 0.004s 0:00.00 0.0%      0+0k 0+0io 0pf+0w
error: command   /software/wien2k-13.1/wien2k/sgroup -wi Sr.struct -wo Sr.struct_sgroup  -set-TOL=0.00001   failed

with best regards
sikander
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