<html><head></head><body><div style="color:#000; background-color:#fff; font-family:Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_1_1497361219225_2497"><span id="yui_3_16_0_1_1497361219225_2979">Dear PWSCF users</span></div><div id="yui_3_16_0_1_1497361219225_4613"><span id="yui_3_16_0_1_1497361219225_2979">I am using QE 5.0.1 and <br></span></div><div dir="ltr" id="yui_3_16_0_1_1497361219225_2980"><span id="yui_3_16_0_1_1497361219225_2979">wish to apply finite homogeneous electric field on ZrS2 monolayer</span></div><div id="yui_3_16_0_1_1497361219225_4538" dir="ltr"><span id="yui_3_16_0_1_1497361219225_2979"> but i am getting error as <br></span></div><div id="yui_3_16_0_1_1497361219225_4601" dir="ltr"><span id="yui_3_16_0_1_1497361219225_2979"> Berry Phase/electric fields only for insulators!<br id="yui_3_16_0_1_1497361219225_4604">Input file is attached ,,,,, please comment - what change is required .<br></span></div><div id="yui_3_16_0_1_1497361219225_4677" dir="ltr"><span id="yui_3_16_0_1_1497361219225_2979"><br></span></div><div id="yui_3_16_0_1_1497361219225_4853" dir="ltr"><span id="yui_3_16_0_1_1497361219225_2979">&control<br id="yui_3_16_0_1_1497361219225_4751"> calculation = 'relax',<br id="yui_3_16_0_1_1497361219225_4752"> restart_mode = 'from_scratch',<br id="yui_3_16_0_1_1497361219225_4753"> prefix = 'ZrS',<br id="yui_3_16_0_1_1497361219225_4754"> pseudo_dir = '/home/sohail/pseudo',<br id="yui_3_16_0_1_1497361219225_4755"> outdir = './OUT',<br id="yui_3_16_0_1_1497361219225_4756"> lelfield =.true.,<br id="yui_3_16_0_1_1497361219225_4757"> gdir = 3,<br id="yui_3_16_0_1_1497361219225_4758"> etot_conv_thr = 1.0d-5,<br id="yui_3_16_0_1_1497361219225_4759"> forc_conv_thr = 1.0d-4,<br id="yui_3_16_0_1_1497361219225_4760"> /<br id="yui_3_16_0_1_1497361219225_4761"> &system<br id="yui_3_16_0_1_1497361219225_4762"> ibrav = 4, a = 3.75, b = 3.75, c = 15.0,<br id="yui_3_16_0_1_1497361219225_4763"> nat = 3, ntyp = 2,<br id="yui_3_16_0_1_1497361219225_4764"> ecutwfc = 75,<br id="yui_3_16_0_1_1497361219225_4765"> ecutrho = 300,<br id="yui_3_16_0_1_1497361219225_4766"> nbnd = 20,<br id="yui_3_16_0_1_1497361219225_4767"> nosym = .true.,<br id="yui_3_16_0_1_1497361219225_4768"> occupations = 'smearing', smearing = 'gaussian', degauss = 0.001,<br id="yui_3_16_0_1_1497361219225_4769"> /<br id="yui_3_16_0_1_1497361219225_4770"> &electrons<br id="yui_3_16_0_1_1497361219225_4771"> mixing_beta = 0.3,<br id="yui_3_16_0_1_1497361219225_4772"> conv_thr = 1.0d-9,<br id="yui_3_16_0_1_1497361219225_4773">efield_cart(1) = 0.0d0,<br id="yui_3_16_0_1_1497361219225_4774">efield_cart(2) = 0.0d0,<br id="yui_3_16_0_1_1497361219225_4775">efield_cart(3) = 0.001d0,<br id="yui_3_16_0_1_1497361219225_4776"> /<br id="yui_3_16_0_1_1497361219225_4777">&ions<br id="yui_3_16_0_1_1497361219225_4778">ion_dynamics = 'bfgs',<br id="yui_3_16_0_1_1497361219225_4779">/<br id="yui_3_16_0_1_1497361219225_4780">ATOMIC_SPECIES<br id="yui_3_16_0_1_1497361219225_4781">Zr 91.22 Zr.pbe-mt_fhi.UPF<br id="yui_3_16_0_1_1497361219225_4782">S 32.06 S.pbe-mt_fhi.UPF<br id="yui_3_16_0_1_1497361219225_4783">ATOMIC_POSITIONS {Angstrom}<br id="yui_3_16_0_1_1497361219225_4840">Zr 0.000000000 0.000000000 0.000000000<br id="yui_3_16_0_1_1497361219225_4841">S -0.000000018 2.113679346 1.383970000<br id="yui_3_16_0_1_1497361219225_4842">S 1.830500018 1.056839657 -1.383970000<br id="yui_3_16_0_1_1497361219225_4843">K_POINTS AUTOMATIC<br id="yui_3_16_0_1_1497361219225_4844">16 16 1 0 0 0<br id="yui_3_16_0_1_1497361219225_4845"></span></div><div id="yui_3_16_0_1_1497361219225_2496"> </div><div id="yui_3_16_0_1_1497361219225_2468" class="signature"><div id="yui_3_16_0_1_1497361219225_2467">--------------------------------------------------------------------- <br><strong id="yui_3_16_0_1_1497361219225_2828"><font id="yui_3_16_0_1_1497361219225_2827" color="#0000ff" size="4">Sohail Ahmad</font></strong></div><div id="yui_3_16_0_1_1497361219225_2531"><font id="yui_3_16_0_1_1497361219225_2530" color="#0000ff">Department of Physics</font></div><div id="yui_3_16_0_1_1497361219225_2905"><font id="yui_3_16_0_1_1497361219225_2904" color="#0000ff">King Khalid University</font></div><div id="yui_3_16_0_1_1497361219225_2962"><font color="#0000ff">Abha, Saudi Arabia</font></div><div id="yui_3_16_0_1_1497361219225_2965">--------------------------------------------------------------------<br></div></div></div></body></html>