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Hello everyone,</div>
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As I couldn't get the optimized lattice parameter for my material by vc-relax calculation, I used pwtk to get the optimized lattice parameter of my material with HSE.</div>
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In the input I used the experimental lattice parameter. But for the last calculated 2 points I get a warning in the terminal that the used a0 is too small even though that I used the experimantal one. That's the message that I receive :
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```</div>
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<div class="ContentPasted0">WARNING: from get2pV0_: two-point Murnaghan estimation of lattice-parameter failed.</div>
<div class="ContentPasted0"> The initial a0 was too small.</div>
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<div class="ContentPasted0"> poor-man estimate of unit-cell volume : V0 = 3536.06 bohr^3</div>
<div class="ContentPasted0"> poor-man estimate of lattice-parameter: a0 = 15.23 bohr</div>
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<div class="ContentPasted0"> warning: minimum is not bracketed yet, calculating another</div>
<div class="ContentPasted0"> estimator point.</div>
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<div class="ContentPasted0"> * calculating estimator point #.5 : a = 15.997 bohr</div>
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<div class="ContentPasted0"> Executable: /home/salma/Desktop/qe-7.0/bin/pw.x</div>
<div class="ContentPasted0"> Running: pw.x -in my_input.d/my_input.estimator-5.in > my_input.d/my_input.estimator-5.out</div>
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<div class="ContentPasted0"> * E(tot) = -566.98612068 ryd</div>
<div class="ContentPasted0"> * P = 7.34 kbar</div>
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<div class="ContentPasted0"> warning: minimum is not bracketed yet, calculating another</div>
<div class="ContentPasted0"> estimator point.</div>
<div class="ContentPasted0">ABORT: cannot guess correct a0 in 5 steps. Initial a0 must be too far off, retry with better a0 estimation.</div>
ABORT statement executed in: run_auto_ my_input.d/my_input</div>
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```</div>
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How can I solve this problem, please?</div>
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PS: I didn't face the same issue when working with PWTK and GGA, I got a lattice parameter close to the experimental one in the output.</div>
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<pre class="x_ContentPasted0 x_ContentPasted1"><div style="font-size: 12pt; color: black; background-color: white;">
<div class="x_ContentPasted1 ContentPasted1" style="background-color: white;">------------------------------------------------------------ </div><div class="x_ContentPasted1" style="background-color: white;"><div style="background-color: white;"><div style="background-color: white;"><span class="x_ContentPasted1 ContentPasted1">Salma NAIMI</span><span></span></div><span style="background-color: white;"><span class="x_ContentPasted1 ContentPasted1">PhD student - Mohamed 5 University-Rabat</span></span></div></div></div></pre>
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