<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><font class="Apple-style-span" size="5" face="Calibri">Dear all</font></div><div><font class="Apple-style-span" size="5" face="Calibri">Hi,</font></div><div><font class="Apple-style-span" size="5" face="Calibri">I face a serious problem that the convergence of scf calculation is hard to reach in the calculation of DFT+U and Spin Orbit Coupling.</font></div><div><font class="Apple-style-span" size="5" face="Calibri">I greatly appreciate to give me some suggestions to deal with my problem.</font></div><div><font class="Apple-style-span" size="5" face="Calibri"><br></font></div><div><font class="Apple-style-span" size="5" face="Calibri">Thanks in advance!</font></div><div><font class="Apple-style-span" size="5" face="Calibri"><br></font></div><div><font class="Apple-style-span" size="5" face="Calibri">Feipeng Zheng</font></div><div><font class="Apple-style-span" size="5" face="Calibri">PHD students of Peking University, China</font></div><div><font class="Apple-style-span" size="5" face="Calibri"><br></font></div><div><font class="Apple-style-span" size="5" face="Calibri">My input file and the information about convergence are listed below:</font></div><div><font class="Apple-style-span" size="5"><br></font></div><div><font class="Apple-style-span" size="4"><br></font></div><div><font class="Apple-style-span" size="5" color="#021f54"><b>(1)Input</b></font></div><div><font class="Apple-style-span" size="4">~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~</font></div><div><div><font class="Apple-style-span" size="5" face="Calibri">&control</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> prefix = 'cn'</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> calculation = 'scf'</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> restart_mode = 'from_scratch'</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> wf_collect = .false.</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> tstress = .true.</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> tprnfor = .true.</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> outdir = './outdir'</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> wfcdir = './wfcdir'</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> pseudo_dir = './'</font></div><div><font class="Apple-style-span" size="5" face="Calibri"><br></font></div><div><font class="Apple-style-span" size="5" face="Calibri">/</font></div><div><font class="Apple-style-span" size="5" face="Calibri">&system</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> ibrav = -12</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> A=5.4270000458 </font></div><div><font class="Apple-style-span" size="5" face="Calibri"> B=9.3950004578</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> C=5.614</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> cosAB=0</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> cosBC=0</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> cosAC=-0.3261786758</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> nat = 24</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> ntyp = 4</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> nbnd = 216</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> ecutwfc = 60.0</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> occupations = 'smearing' ,</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> smearing = 'gaussian' ,</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> degauss = 0.01 ,</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> lda_plus_u = .true., </font></div><div><font class="Apple-style-span" size="5" face="Calibri"> lda_plus_u_kind = 1, </font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Hubbard_U(1)=1.7 , Hubbard_U(2)=1.7 ,Hubbard_J(1,1)=0.6, Hubbard_J(1,2)=0.6</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> lspinorb=.true., noncolin=.true., </font></div><div><font class="Apple-style-span" size="5" face="Calibri"> starting_magnetization(1)=0.5, starting_magnetization(2)=-0.5, starting_magnetization(3)=0, starting_magnetization(4)=0</font></div><div><font class="Apple-style-span" size="5" face="Calibri">/</font></div><div><font class="Apple-style-span" size="5" face="Calibri">&electrons</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> electron_maxstep = 200</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> conv_thr = 1.0d-6</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> mixing_mode = 'plain'</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> mixing_beta = 0.3</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> mixing_ndim = 8</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> diagonalization = 'david'</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> diago_david_ndim = 4</font></div><div><font class="Apple-style-span" size="5" face="Calibri">/</font></div><div><font class="Apple-style-span" size="5" face="Calibri">ATOMIC_SPECIES</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Ir1 192.217 Ir.rel-pbesol-n-rrkjus_psl.0.2.3.UPF</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Ir2 192.217 Ir.rel-pbesol-n-rrkjus_psl.0.2.3.UPF</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 22.98977 Na.rel-pbesol-spn-rrkjus_psl.0.2.UPF</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 15.9994 O.rel-pbesol-n-rrkjus_psl.0.1.UPF</font></div><div><font class="Apple-style-span" size="5" face="Calibri">ATOMIC_POSITIONS crystal</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Ir1 0.500000000 0.166999996 0.000000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Ir1 0.000000000 0.333000004 0.000000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Ir2 0.500000000 0.833000004 0.000000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Ir2 0.000000000 0.666999996 0.000000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 0.000000000 0.000000000 0.000000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 0.500000000 0.500000000 0.000000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 0.500000000 0.000000000 0.500000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 0.000000000 0.500000000 0.500000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 0.500000000 0.340000004 0.500000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 0.500000000 0.659999967 0.500000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 0.000000000 0.840000033 0.500000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> Na 0.000000000 0.159999996 0.500000000</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.748000026 0.178000003 0.788999975</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.251999974 0.822000027 0.211000025</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.251999974 0.178000003 0.211000025</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.748000026 0.822000027 0.788999975</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.248000026 0.677999973 0.788999975</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.751999974 0.321999997 0.211000025</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.751999974 0.677999973 0.211000025</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.248000026 0.321999997 0.788999975</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.711000025 0.000000000 0.203999996</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.288999975 0.000000000 0.796000004</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.211000025 0.500000000 0.203999996</font></div><div><font class="Apple-style-span" size="5" face="Calibri"> O 0.788999975 0.500000000 0.796000004</font></div><div><font class="Apple-style-span" size="5" face="Calibri">K_POINTS automatic</font></div><div><font class="Apple-style-span" size="5" face="Calibri">6 3 6 1 1 1</font></div></div><div> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~</div><div><font class="Apple-style-span" size="5" face="Calibri"><b>(2)Information about the convergence</b></font></div><div><font class="Apple-style-span" face="Calibri"><br></font></div><div><div><font class="Apple-style-span" face="Calibri"> <font class="Apple-style-span" size="4">estimated scf accuracy < 5.92167692 Ry</font></font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.97254388 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.22957473 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.05303115 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.01821857 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.01087345 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00752675 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00439903 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00976111 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00971859 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00379758 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00549082 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00292167 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00297945 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00296944 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00357511 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.01859299 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.01614578 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00284335 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00220986 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00199116 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00394812 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00187060 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00109610 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00136364 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00148185 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00149291 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00128022 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00126421 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00119635 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00154749 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00087598 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00177820 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00173430 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00212876 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00153512 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00131154 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00139106 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00202859 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00183535 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00110236 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00125853 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00114915 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00165795 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00070753 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00103440 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00076983 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00106630 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00138150 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00135628 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00139915 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00081134 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00133499 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00158556 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00161960 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00244889 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00166725 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00116166 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00171726 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00207491 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00207093 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00175628 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00173412 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00170433 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00257291 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00199391 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00193952 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00126945 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00125673 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00157669 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00227168 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00152062 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00120945 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00156651 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00143003 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00160748 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00118836 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00122127 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00120106 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00130648 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00136426 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00122502 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00108343 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00265258 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00159231 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00161320 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00260174 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00144941 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00233780 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00184648 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00132588 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00134312 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00209603 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00163010 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00135211 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00140337 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00312293 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00176500 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00268589 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00249467 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00185384 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00217734 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00245582 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00263931 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00214840 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00271914 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00272293 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00298563 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00203851 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00216732 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00206684 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00200724 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00224128 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00211667 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00197926 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00278075 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00333196 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00381661 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00543998 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00134101 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00277809 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00150992 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00186318 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00211254 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00230520 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00370439 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00280689 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00329003 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00212648 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00252098 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00208129 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00248616 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00285185 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00380639 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00595663 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00609239 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00361332 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00378039 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00298567 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00335279 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00249541 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00404341 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00366412 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00417476 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00352050 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.01228127 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00297789 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00405888 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00385294 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00480060 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00496324 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00415109 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00296269 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00300026 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00499471 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00336766 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00349984 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00528050 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00362642 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00364593 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00533317 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00348740 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00489642 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.02135842 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00341085 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00718359 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00377118 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.02611920 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00336025 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00411045 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00334764 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00368985 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00319746 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00965470 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00685133 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00442885 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00397514 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.01779225 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00572820 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00550507 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00554672 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00374998 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00729374 Ry</font></div><div><font class="Apple-style-span" size="4" face="Calibri"> estimated scf accuracy < 0.00522458 Ry</font></div></div><div><br></div><div><br></div><br><div apple-content-edited="true">
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div style="color: rgb(0, 0, 0); font-family: arial; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: 23px; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><font color="#008000" size="5" style="color: rgb(0, 0, 0); font-size: 18px; ">__________________________________________________</font></div><div style="color: rgb(0, 0, 0); font-family: arial; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: 23px; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><font color="#008000" size="5" style="color: rgb(0, 0, 0); font-size: 18px; ">Feipeng Zheng</font></div><div style="color: rgb(0, 0, 0); font-family: arial; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: 23px; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "> </div><div style="color: rgb(0, 0, 0); font-family: arial; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: 23px; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><font color="#008000" size="5" style="color: rgb(0, 0, 0); font-size: 18px; ">International Center For Quantum Materials, Peking University</font></div><div style="color: rgb(0, 0, 0); font-family: arial; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: 23px; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "> </div><span style="color: rgb(0, 0, 0); font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: 18px; "><div>TEL:15652969449 </div></span></div><div><br></div></div><br class="Apple-interchange-newline"><br class="Apple-interchange-newline">
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