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<span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; font-style: italic;">Dear Wien2k developers, </span><br>
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I have encountered an error during fixed spin moment calculation<span> in WIEN2k (version 21) as mentioned below:</span></div>
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<span class="ContentPasted0">[2] Done ( cd $PWD; $t $exe ${def}_$loop.def; rm -f .lock_$lockfile[$p] ) >> .time1_$loop
<div class="ContentPasted0"> LAPW0 END</div>
<div class="ContentPasted0"> LAPW0 END</div>
<div class="ContentPasted0"> LAPW1 END</div>
<div class="ContentPasted0">[2] Done ( cd $PWD; $t $exe ${def}_$loop.def; rm -f .lock_$lockfile[$p] ) >> .time1_$loop</div>
<div class="ContentPasted0"> LAPW1 END</div>
<div class="ContentPasted0"> LAPW1 END</div>
<div class="ContentPasted0"> LAPW1 END</div>
<div class="ContentPasted0"> LAPW1 END</div>
<div class="ContentPasted0">[5] + Done ( cd $PWD; $t $exe ${def}_$loop.def; rm -f .lock_$lockfile[$p] ) >> .time1_$loop</div>
<div class="ContentPasted0">[4] + Done ( cd $PWD; $t $exe ${def}_$loop.def; rm -f .lock_$lockfile[$p] ) >> .time1_$loop</div>
<div class="ContentPasted0">[3] + Done ( cd $PWD; $t $exe ${def}_$loop.def; rm -f .lock_$lockfile[$p] ) >> .time1_$loop</div>
<div class="ContentPasted0">[1] + Done ( cd $PWD; $t $exe ${def}_$loop.def; rm -f .lock_$lockfile[$p] ) >> .time1_$loop</div>
<div class="ContentPasted0">vresp: Undefined variable.</div>
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======</div>
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command to run fsm calculation is given as </div>
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<span style="font-family:Consolas,Courier,monospace">run</span><span style="font-family:Consolas,Courier,monospace">fsm_lapw -m 50.4 -p -ec 0.0001 -i 100 </span></div>
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There is no error when I run normal spin polarized calculation with <span style="font-family:Consolas,Courier,monospace">
runsp_lapw </span>script. </div>
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Please help me out from this error. </div>
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Regards,</div>
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<div dir="ltr" style="margin:0; padding:0"><font size="2" face="sans-serif" color="black" style=""><span dir="ltr" style="font-size:11pt">Dr. KISHOR KUMAR/डॉ. किशोर कुमार<br>
Department of Physics/भौतिक विज्ञान विभाग</span></font></div>
<div dir="ltr" style="margin:0; padding:0"><font size="2" face="sans-serif" color="black" style=""><span dir="ltr" style="font-size:11pt">Mohanlal Sukhadia University, Udaipur 313001<br>
मोहनलाल सुखाड़िया विश्वविद्यालय, उदयपुर 313001</span></font></div>
<div dir="ltr" style="margin:0; padding:0"><font size="2" face="sans-serif" color="black" style=""><span dir="ltr" style="font-size:11pt">Rajasthan, India | Mob. No. +91-8003180325<br>
राजस्थान, भारत | मो. न. +91-8003180325</span></font></div>
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