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Gavin Abo and Lawrence Marks,<br>
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Thanks for your answers, but I still get the same problem</div>
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I make the supercell, add an impurity (Ti) calculate Rmt<br>
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then I try two possibilities</div>
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a) I run "sgroup" and get the new struct file</div>
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b) I run "nn" get the new file and then "sgroup" and get the new file</div>
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in both cases I get a problem;</div>
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<pre>> inputfiles for lapw1c/2c prepared, no inversion present (12:49:05)
next is kgen
forrtl: severe (24): end-of-file during read, unit 20, file /home/pablo/WIEN2k/MoS2-Ti/MoS2-Ti.struct
Image PC Routine Line Source
kgen 000000000045C74B Unknown Unknown Unknown
kgen 0000000000425E78 Unknown Unknown Unknown
kgen 00000000004047B5 MAIN__ 195 main.f
kgen 00000000004041B2 Unknown Unknown Unknown
libc-2.24.so 0000152A64B03431 __libc_start_main Unknown Unknown
kgen 00000000004040AA Unknown Unknown Unknown
\n stop error \n
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Here include the struct file of the a) option</div>
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Pablo<br>
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