[Wien] Error in MoS2 doped with Ti

[delamora]

Thank you,
But there is something strange;

If

MoS2-Ti.struct

is the doped supercell but without having run "x struct", then if I do;

x sgroup
cp MoS2-Ti.struct_sgroup MoS2-Ti.struct
init -b

it does not work

But if I do;

x sgroup
cp MoS2-Ti.struct_sgroup MoS2-Ti.struct
x sgroup
cp MoS2-Ti.struct_sgroup MoS2-Ti.struct
init -b

it works

Pablo

The attached struct is the doped struct without having run "x struct"
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