<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear QE developers,<div class=""><br class=""></div><div class="">I am writing to report a potential bug that I found during my calculations. This problem happens for the QE version 5.3, 5.4, and 6.0. I haven’t test it with the QE 5.2.</div><div class=""><br class=""></div><div class="">I have tested it with QE 5.1.2, and it worked fine. So, something might have happened after QE 5.2 or QE 5.3.</div><div class=""><br class=""></div><div class="">I got this error when I run QE on a Cray machine (a NERSC machine in the US) or on a local linux cluster (one in the University of Chicago).</div><div class=""><br class=""></div><div class=""><u class="">The problem happens when I do the following combination for calculating a paramagnetic defect in wide-gap semiconductors:</u></div><div class=""><br class=""></div><div class="">1. Hybrid functional calculations, such as PBE0 or HSE</div><div class=""><br class=""></div><div class="">2. Spin-polarized calculation: nspin = 2 with either occupations = ‘smearing’ or ‘fixed'</div><div class=""><br class=""></div><div class="">3. Gamma-point only : If I use multiple k-points, then the problem doesn’t happen.</div><div class=""><br class=""></div><div class="">The problem is basically it produces unrealistic exchange splitting between the whole spin-up and spin-down channels on the order of 10 to 20 eV and it crashes during the calculations, producing the following ERROR message:</div><div class=""><br class=""></div><div class=""><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""> Program PWSCF v.5.4.0 starts on 18Oct2016 at 1:44: 3<span style="font-variant-ligatures: no-common-ligatures" class=""></span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> This program is part of the open-source Quantum ESPRESSO suite</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> for quantum simulation of materials; please cite</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> URL <a href="http://www.quantum-espresso.org" class="">http://www.quantum-espresso.org</a>",</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> in publications or presentations arising from this work. More details at</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> <a href="http://www.quantum-espresso.org/quote" class="">http://www.quantum-espresso.org/quote</a></span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Parallel version (MPI), running on 320 processors</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> K-points division: npool = 2</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> R & G space division: proc/nbgrp/npool/nimage = 160</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Waiting for input...</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Reading input from standard input</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Current dimensions of program PWSCF are:</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Max number of different atomic species (ntypx) = 10</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Max number of k-points (npk) = 40000</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Max angular momentum in pseudopotentials (lmaxx) = 3</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> IMPORTANT: XC functional enforced from input :</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Exchange-correlation = PBE0 ( 6 4 8 4 0 0)</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> EXX-fraction = 0.25</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Any further DFT definition will be discarded</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Please, verify this is what you really want</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> EXX fraction changed: 0.25</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> gamma-point specific algorithms are used</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Message from routine setup:</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> the system is metallic, specify occupations</span></div></div><div class=""><br class=""></div><div class="">…</div><div class="">… (The calculation proceeded.)</div><div class="">…</div><div class=""><br class=""></div><div class=""><span style="font-family: Monaco; background-color: rgb(255, 255, 255);" class=""> highest occupied, lowest unoccupied level (ev):</span><span style="font-family: Monaco; background-color: rgb(255, 255, 255);" class=""> </span><span style="font-family: Monaco; background-color: rgb(255, 255, 255);" class="">14.1268</span><span style="font-family: Monaco; background-color: rgb(255, 255, 255);" class=""> </span><span style="font-family: Monaco; background-color: rgb(255, 255, 255);" class="">9.6122</span></div><div class=""><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> convergence has been achieved in 11 iterations</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Error in routine electrons (1):</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> dexx is negative! Check that exxdiv_treatment is appropriate for the system</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255); min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> stopping ...</span></div></div><div class=""><br class=""></div><div class="">As you can see there, the highest occupied and lowest unoccupied levels do not make any sense. </div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div style="margin: 0px; line-height: normal; background-color: rgb(255, 255, 255);" class=""><u class=""><font face="Monaco" class="">The input file for this calculation is as follows:</font></u></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">&CONTROL</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">calculation = 'scf'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">restart_mode = 'from_scratch'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">prefix = 'SrTiO3'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">pseudo_dir = '/home/hseo/Quantum_Espresso/Pseudo/ONCV/UPF'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">outdir = './out/'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">wf_collect = .TRUE.</span></div><div style="margin: 0px; line-height: normal;" class="">tprnfor = .TRUE.</div><div style="margin: 0px; line-height: normal;" class="">verbosity = 'high'</div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">/</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">&SYSTEM</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">ibrav = 0, celldm(1) = 1.889726164</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">nat = 135</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">ntyp = 4</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">ecutwfc = 80</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">nosym = .FALSE.</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">input_dft = 'pbe0', nqx1 = 1, nqx2 = 1, nqx3 = 1,</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">exx_fraction = 0.25</span></div><div style="margin: 0px; line-height: normal;" class="">exxdiv_treatment = 'gygi-baldereschi'</div><div style="margin: 0px; line-height: normal;" class="">ecutfock = 160</div><div style="margin: 0px; line-height: normal;" class="">occupations = 'fixed'</div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">nbnd = 620</span></div><div style="margin: 0px; line-height: normal;" class="">tot_charge = +1</div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">nspin = 2</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">tot_magnetization = 1.0</span></div><div style="margin: 0px; line-height: normal;" class="">/</div><div class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">&ELECTRONS</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">electron_maxstep = 400</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">conv_thr = 1.0d-6</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">mixing_mode = 'plain'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">mixing_beta = 0.7</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">diagonalization = 'david'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">diago_full_acc = .TRUE.</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">startingpot = 'atomic'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">startingwfc = 'atomic+random'</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">/</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">ATOMIC_SPECIES</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 87.6200 Sr_ONCV_PBE-1.0.upf</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 47.8670 Ti_ONCV_PBE-1.0.upf</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 13.6181 O_ONCV_PBE-1.0.upf</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">TI 47.8670 Ti_ONCV_PBE-1.0.upf</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">CELL_PARAMETERS alat</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">11.715 0.0 0.0</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">0.0 11.715 0.0</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">0.0 0.0 11.715</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">K_POINTS gamma</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">ATOMIC_POSITIONS (crystal)</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.007076213 0.003882968 -0.003883607</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.007004395 0.004472115 0.330161165</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.006548034 0.003133478 0.662235306</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.006548131 0.337763558 -0.003134658</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.006967490 0.337855345 0.330123309</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.011743970 0.338239399 0.661759212</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.007004315 0.669838516 -0.004472608</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.007582045 0.669432748 0.330566588</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.006967491 0.669875839 0.662143399</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.332995107 0.003089548 -0.003090821</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.333945505 0.003776710 0.328083380</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.334191838 0.005275177 0.662501313</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.334191512 0.337497540 -0.005277203</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.336136636 0.337531992 0.331467484</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.333944849 0.671916007 -0.003777586</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.335415362 0.671323724 0.328675092</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.336135573 0.668531491 0.662466846</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.675747640 0.001269210 -0.001269398</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.674555662 0.001369453 0.327199604</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.676405281 0.000933477 0.663127400</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.676405399 0.336872117 -0.000934645</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.674782148 0.336608317 0.329465364</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.686227419 0.334630252 0.665370103</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.674556416 0.672799803 -0.001369633</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.673709357 0.671846013 0.328152874</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Sr 0.674783125 0.670533489 0.663391179</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.173329799 0.172631391 0.161765990</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.175404879 0.174549160 0.495806041</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.174878450 0.174660024 0.825338375</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.173752524 0.505449350 0.161444881</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.176297843 0.504470785 0.495527824</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.175404537 0.504192401 0.825449442</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.172675752 0.838754894 0.161244320</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.173752793 0.838554240 0.494549284</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.173329806 0.838233033 0.827367617</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.506116399 0.173624896 0.162585429</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.506385145 0.163857222 0.492738304</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.506117092 0.163982408 0.836016719</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.506487378 0.505717198 0.162702278</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.506384351 0.507261597 0.836142111</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.505231123 0.840327551 0.159671783</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.506487696 0.837296551 0.494282312</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.506116637 0.837413057 0.826374767</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.840365280 0.171663332 0.161818947</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.842130073 0.171049139 0.494723122</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.843572507 0.170866248 0.829133407</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.840182817 0.505726561 0.161808719</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.840998993 0.505264606 0.494735559</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.842130871 0.505276672 0.828951207</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.841602749 0.838440812 0.161559352</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.840182663 0.838191192 0.494272768</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.840365630 0.838180746 0.828336549</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">Ti 0.506741875 0.507085123 0.492914876</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.003677638 0.163046372 0.169304490</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.003369963 0.160534676 0.500648739</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.002279750 0.161133862 0.838866686</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.003744888 0.495709106 0.169660543</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.004153899 0.499285001 0.500716585</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.003369326 0.499352404 0.839465971</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.002202679 0.829593319 0.170408578</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.003744853 0.830340328 0.504290510</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O -0.003677322 0.830696623 0.836954369</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.331578759 0.161791509 0.169589031</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.329591647 0.157918092 0.495839023</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.327908001 0.158490474 0.841510474</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.331782353 0.496329014 0.169902667</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.331138798 0.503063503 0.496936192</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.329590836 0.504160643 0.842082669</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.330935225 0.829742492 0.170257847</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.331782607 0.830099842 0.503671391</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.331578821 0.830412516 0.838208506</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.662162635 0.161576056 0.168006292</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.660830180 0.168999633 0.509668574</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.660242079 0.169602573 0.830399211</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.662694086 0.496059010 0.168735710</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.661261244 0.490510874 0.509492672</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.660829596 0.490333604 0.831001684</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.663034819 0.830512861 0.169487132</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.662694242 0.831263209 0.503941579</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.662162852 0.831993053 0.838424440</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.163337709 -0.003251863 0.169512223</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.162359819 -0.004171914 0.503131104</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.162334314 -0.003891719 0.836600467</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.164129679 0.330658697 0.170500569</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.159097853 0.331545355 0.497507265</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.159652712 0.331957442 0.839230482</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.163405099 0.664079389 0.169432472</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.161736962 0.664675993 0.502077971</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.161556123 0.664852235 0.838256064</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.495728995 -0.001656903 0.168936457</span></div></span></div></span></div></span></div></span></div></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.498298003 0.000323910 0.507363206</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.497129758 0.001182757 0.829944283</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.495840762 0.330284408 0.169476262</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.482573044 0.331073729 0.512366100</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.480121211 0.331324100 0.822255701</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.496304722 0.662948273 0.168700119</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.500369342 0.663950896 0.505413018</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.499737309 0.663606900 0.831420181</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.829814214 -0.003301983 0.169845675</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.826134223 -0.002801523 0.502974487</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.825942098 -0.002503514 0.837527286</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.828137853 0.329979630 0.169307132</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.832852475 0.330070712 0.502867000</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.832300764 0.330109643 0.837773293</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.829356727 0.663927462 0.169632965</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.825482224 0.664031868 0.503107855</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.825185194 0.664093632 0.837373787</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.162334019 0.163400601 0.003891952</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.161555709 0.161743326 0.335148051</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.159653297 0.160768166 0.668042185</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.162359954 0.496868135 0.004172056</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.161735920 0.497922703 0.335324454</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.159098410 0.502492345 0.668454296</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.163337524 0.830487465 0.003251920</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.163405849 0.830567292 0.335920233</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.164129495 0.829500721 0.669341167</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.497128639 0.170057700 -0.001182538</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.499739748 0.168579710 0.336393630</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.480121182 0.177744095 0.668676697</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.498295502 0.492637503 -0.000323674</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.500372155 0.494587225 0.336049962</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.482571914 0.487634263 0.668926979</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.495728579 0.831063310 0.001657012</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.496304798 0.831300698 0.337051818</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.495840906 0.830525014 0.669715986</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.825942160 0.162473691 0.002503892</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.825183926 0.162627302 0.335906957</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.832300385 0.162226678 0.669891136</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.826134560 0.497025470 0.002801837</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.825481246 0.496892710 0.335968844</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.832852414 0.497133513 0.669930445</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.829814311 0.830155181 0.003302585</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.829355392 0.830367405 0.336072656</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">O 0.828138129 0.830693495 0.670020782</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">TI 0.419259652 0.333857546 0.666142248</span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div></span></div></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class="">Best,</div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class=""><br class=""></div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class="">Hosung Seo</div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class="">Postdoctoral Fellow </div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class="">University of Chicago</div><div style="margin: 0px; line-height: normal; font-family: Monaco; background-color: rgb(255, 255, 255);" class="">Chicago, IL 60615</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div></body></html>