<div dir="ltr"><div>Dears, <br></div><div><br></div><div><font size="4"><b>1) All files you indicated are already generated.:</b></font> <font size="4"><tt>case.klist_fbz,
</tt><tt>case.klist_ibz, case.kgen_ibz and case.outputkgenhf</tt></font></div><div><b><font size="4"><tt><br></tt></font></b></div><div><b><font size="4">2) For the number of 'nbands<tt>' : I set nband_occ +1</tt><tt>.</tt></font></b></div><div><tt><font size="4">For my case , I set : 14 ( I also tried with 16 or 17 , the error still).</font></tt></div><div><pre> Insulator, EF-inconsistency corrected
:GAP (global) : 0.157470 Ry = 2.142 eV (accurate value if proper k-mesh)
Bandranges (emin - emax) and occupancy:
:BAN00003: 3 -2.835841 -2.824643 2.00000000
:BAN00004: 4 -2.833211 -2.824643 2.00000000
:BAN00005: 5 -1.280319 -1.145577 2.00000000
:BAN00006: 6 -1.185292 -1.129622 2.00000000
:BAN00007: 7 -0.668293 -0.611429 2.00000000
:BAN00008: 8 -0.605711 -0.438976 2.00000000
:BAN00009: 9 -0.544477 -0.438976 2.00000000
:BAN00010: 10 -0.482979 -0.376093 2.00000000
:BAN00011: 11 -0.459595 -0.359116 2.00000000
:BAN00012: 12 -0.367030 -0.320697 2.00000000
:BAN00013: 13 -0.299789 -0.246051 2.00000000
:BAN00014: 14 -0.088581 -0.045169 0.00000000
:BAN00015: 15 -0.075909 -0.042077 0.00000000
:BAN00016: 16 -0.034931 0.036604 0.00000000
:BAN00017: 17 -0.028040 0.089279 0.00000000
:BAN00018: 18 0.148386 0.303402 0.00000000
Energy to separate low and high energystates: -0.71829
:NOE : NUMBER OF ELECTRONS = 26.000
:FER : F E R M I - ENERGY(TETRAH.M.)= -0.2460508540
:GMA : POTENTIAL AND CHARGE CUT-OFF 12.00 Ry**.5
</pre></div><div><font size="4"><tt><br></tt></font></div><div><font size="4"><b><tt>3) For case.inhf is the following : ( I also tried with alpha equal to 0.2 and increase gmax but error still)<br></tt></b></font></div><div><b><tt><br></tt></b></div><div>0.25 alpha<br>T screened (T) or unscreened (F)<br>0.165 lambda<br>14 nband<br>6 gmax<br>3 lmaxe<br>3 lmaxv<br>1d-3 tolu</div><div><b><font size="4"><br></font></b></div><div><b><font size="4"><br></font></b></div><div><b><font size="4">4) the content of hf.error : error in hf (only this message is written in hf.error file) </font></b><br></div></div>