<div dir="auto">Dear colleagues,<div dir="auto"><br></div><div dir="auto">Â </div><div dir="auto"><br></div><div dir="auto">I have one question regarding the Hubbard parameter calculation with HP module of Quantum Espresso_6.6. I have successfully calculated the parameter U for the Ta atom in the KTaO3 crystal using the Monkhorst-Pack k-mesh 4x4x4 both in the scf-input and hp-input. However, when using a denser k- mesh</div><div dir="auto">6x6x6 with 20 k-points in the IBZ, I encountered an error in running without any diagnostics.<br></div><div dir="auto"><br></div><div dir="auto">Â </div><div dir="auto"><br></div><div dir="auto">At the same time, before stopping the code hp.x has created 13 files out 20 with the extension *.dat , the last of which is the file KTaO3_Uscf_Ta.dns.pert_1.q_13.dat and when using a k-mesh 8x8x8 with 35 k-points in the IBZ - 7 files out of 35, the last of which is the file KTaO3_Uscf_Ta.dns.pert_1.q_7.dat respectively.</div><div dir="auto"><br></div><div dir="auto">Â </div><div dir="auto"><br></div><div dir="auto">The initial assumption that the tasks 6x6x6 and 8x8x8 did not have enough RAM or disk memory is hardly true, since the volumes of RAM and disk memory available for the tasks were 2 Terabytes and 300 Gigabytes respectively. It remains to assume that the reason for stopping the tasks is an error caused perhaps by the limitation of the dimensions of some used arrays. I hope that Dr. Iurii Timrov may know the answer to this question. I attach 2 input files and 1 output file.</div><div dir="auto"><br></div><div dir="auto">Â </div><div dir="auto"><br></div><div dir="auto">Â I would be grateful for any help or advice.</div><div dir="auto"><br></div><div dir="auto">Thank you in advance</div><div dir="auto"><br></div><div dir="auto">Â </div><div dir="auto"><br></div><div dir="auto">Anton Gavrikov,</div><div dir="auto"><br></div><div dir="auto">Researher,</div><div dir="auto"><br></div><div dir="auto">Physical Department,</div><div dir="auto"><br></div><div dir="auto">Saint-Petersburg University,</div><div dir="auto"><br></div><div dir="auto">Russian Federation</div></div>