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<div>Hi Prof Blaha and Wien2k users,</div>
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<div>I am running a surface supercell calculation with spin-orbit interaction using non-scf</div>
<div>method. While LAPW1 worked fine and produced the energy and scf1 files correctly,</div>
<div>LAPWSO failed with BACKSPACE error. Please see the error message below. I have checked </div>
<div>the get_nloat.f file and while there is a BACKSPACE statement in line 22 but it is <span style="font-size: 12pt;">not </span></div>
<div><span style="font-size: 12pt;">obvious to me why there is a problem to execute this line. Somewhere it seems to have</span></div>
<div><span style="font-size: 12pt;">generated an '<span style="font-family: Calibri, Arial, Helvetica, sans-serif; font-size: 16px;">forrtl: Invalid argument' after LAPW1 but not sure why.</span> I am using Wien2k_16 </span></div>
<div><span style="font-size: 12pt;">which I </span><span style="font-size: 12pt;">have compiled with intel/2017.</span></div>
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<div><span style="font-size: 12pt;"> LAPW1 END</span><br>
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<div> LAPW1 END</div>
<div> LAPW1 END</div>
<div> LAPW1 END</div>
<div> LAPW1 END</div>
<div> LAPW1 END</div>
<div> LAPW1 END</div>
<div> LAPW1 END</div>
<div>forrtl: Invalid argument</div>
<div>forrtl: severe (23): BACKSPACE error, unit 9, file /scratch/1Mn.vectordn_1</div>
<div>Image PC Routine Line Source</div>
<div>lapwso 0000000001D5AFBC Unknown Unknown Unknown</div>
<div>lapwso 0000000001D57771 Unknown Unknown Unknown</div>
<div>lapwso 00000000004305D6 get_nloat_ 22 get_nloat.f</div>
<div>lapwso 0000000000419F2F MAIN__ 144 lapwso.F</div>
<div>lapwso 000000000040442E Unknown Unknown Unknown</div>
<div>libc-2.23.so 00002AF2B4B9A830 __libc_start_main Unknown Unknown</div>
<div>lapwso 0000000000404329 Unknown Unknown Unknown</div>
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Any suggestion will be appreciated.
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Thanks,</div>
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Fhokrul</div>
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