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<div dir="auto">Dear Prof. Blaha </div>
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<div dir="auto">I am working on half heusler compounds using HF potential. When I plot DOS curve, then there is no peak seen at conduction band side. But same time i plot DOS plot using GGA-PBE complete curve seen at both sides. I followed all the steps given
in manual for HF Potential - </div>
<div dir="auto">Command for YS-PBE0 potential</div>
<div dir="auto">1. Initialize the structure- </div>
<div dir="auto">init_lapw -p</div>
<div dir="auto">2. Run scf cycle by command </div>
<div dir="auto">run_lapw -p</div>
<div dir="auto">3. Save files by "save_lapw -d case_pbe"</div>
<div dir="auto">4. run command </div>
<div dir="auto">init_hf_lapw -p</div>
<div dir="auto">5. A window appears on screen (case.inhe) xx in fourth line by number of partially or occupied band in our case it is 11</div>
<div dir="auto">then save the file .</div>
<div dir="auto">6. Another file case.in1c appears on screen just cross it without any change.</div>
<div dir="auto">6. Run command </div>
<div dir="auto">run_lapw -redklist -hf -p</div>
<div dir="auto">7. After complete cycle save file by "save_lapw -d case_hf" </div>
<div dir="auto">8. For DOS run x lapw2 -qtl -hf -p and then after configure the file then run x tetra -hf command.</div>
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Thanks <br>
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Ajay Singh Verma<br>
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