<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">maybe you’re visualising the conventional, rather than the primitive unit cell.<div class="">Try to set Display -> Primitive Cell Mode</div><div class=""><br class=""></div><div class="">The bct unit cel should show up.</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""><div class="">
<div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">-- <br class=""><br class="">Giovanni Cantele, PhD</span></div><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy</span></div><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><br class=""><a href="mailto:giovanni.cantele@spin.cnr.it" class="">e-mail: giovanni.cantele@spin.cnr.it</a></span></div><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""> <a href="mailto:gcantele@gmail.com" class="">gcantele@gmail.com</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class="">Web page:<span class="Apple-converted-space"> </span></span><a href="https://sites.google.com/view/giovanni-cantele" class="">https://sites.google.com/view/giovanni-cantele</a></div></div></div></div>
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<div><br class=""><blockquote type="cite" class=""><div class="">On 19 Nov 2018, at 19:38, Chan, Edmund <<a href="mailto:thc208@exeter.ac.uk" class="">thc208@exeter.ac.uk</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div class="WordSection1" style="page: WordSection1; caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">Dear all users,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">I am currently trying to relax a methylammonium lead iodide CH<sub class="">3</sub>NH<sub class="">3</sub>PbI<sub class="">3</sub><span class="Apple-converted-space"> </span>structure which has tetragonal structure I4/mcm. Thus, in my input file, I select ibrav = 7 (body centred teragonal). However, as I visualise the input and output on Xcrysden, the unit cell becomes orthorhombic. Why is that?<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">&CONTROL<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> title = 'MAPI' ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> calculation = 'relax' ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> restart_mode = 'from_scratch' ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> outdir = './' ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> pseudo_dir = './' ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> prefix = 'CH3NH3PbI3' ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">/<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">&SYSTEM<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> ibrav = 7,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> A = 8.83920,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> C = 12.6948,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> nat = 12,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> ntyp = 5,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> ecutwfc = 80 ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> ecutrho = 800,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">/<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">&ELECTRONS<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> electron_maxstep = 5000 ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> conv_thr = 1.0d-6 ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> mixing_beta = 0.3 ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">/<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">&IONS<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> ion_dynamics = 'bfgs' ,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">/<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">ATOMIC_SPECIES<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> C 12.01070 c_pbesol_v1.2.uspp.F.UPF<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> H 1.00794 H.pbesol-rrkjus_psl.0.1.UPF<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> N 14.00670 N.pbesol-theos.UPF<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> Pb 207.20000 Pb.pbesol-dn-kjpaw_psl.0.2.2.UPF<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> I 126.90450 i_pbesol_v1.uspp.F.UPF<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">ATOMIC_POSITIONS alat<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> Pb 0.000000000 0.000000000 0.500000000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> I 0.000000000 0.000000000 0.250000000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> I 0.294200000 0.205800000 0.500000000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> I -0.294200000 -0.207600000 0.500000000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> C 0.544000000 0.921000000 0.784000000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> H 0.609200000 1.002100000 0.769900000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> H 0.557300000 0.845500000 0.724600000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> H 0.551500000 0.875200000 0.864300000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> N 0.389000000 0.987000000 0.767000000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> H 0.324700000 0.913900000 0.730300000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> H 0.381400000 1.068100000 0.734300000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> H 0.339300000 0.990800000 0.831000000 <o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">K_POINTS automatic<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""> 1 1 1 0 0 0<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">Thank you all.<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">Kind regards,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(67, 0, 104);" class="">Edmund Chan<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">________________________________________________</span><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><b class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">Edmund Chan</span></b><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">PhD Renewable Energy Student</span><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">Environment & Sustainablity Institute</span><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">College of Engineering, Mathematics and Physical Sciences<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">University of Exeter, Penryn Campus</span><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">Penryn, Cornwall</span><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">United Kingdom<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">TR10 9FE<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><br class=""></span><i class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">Tel:</span></i><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class=""><span class="Apple-converted-space"> </span><a href="tel:+44%207455%20235%20701" style="color: rgb(149, 79, 114); text-decoration: underline;" class="">+44 (0)7455 235 701</a></span><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><i class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">Email:</span></i><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class=""><span class="Apple-converted-space"> </span><a href="mailto:thc208@exeter.ac.uk" style="color: rgb(149, 79, 114); text-decoration: underline;" class=""><span style="color: rgb(24, 61, 94); text-decoration: none;" class="">thc208@exeter.ac.uk</span></a></span><span style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(24, 61, 94);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><i class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(24, 61, 94);" class="">LinkedIn:<span class="Apple-converted-space"> </span><a href="https://uk.linkedin.com/in/edmundchan1" style="color: rgb(149, 79, 114); text-decoration: underline;" class=""><span style="color: rgb(24, 61, 94); text-decoration: none;" class="">https://uk.linkedin.com/in/edmundchan1</span></a></span></i><i class=""><span style="font-size: 7.5pt; font-family: Arial, sans-serif; color: rgb(31, 56, 100);" class=""><o:p class=""></o:p></span></i></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span lang="EN" style="font-size: 12pt; font-family: "Times New Roman", serif; color: rgb(83, 129, 53);" class=""><span id="cid:image002.jpg@01D48037.20473080"><image002.jpg></span></span><i class=""><span style="font-family: "Century Schoolbook", serif; color: rgb(83, 129, 53);" class=""><o:p class=""></o:p></span></i></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="color: rgb(112, 48, 160);" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><span style="color: rgb(127, 127, 127);" class=""><span id="cid:image003.gif@01D48035.475E6E60"><image003.gif></span></span><span style="color: rgb(112, 48, 160);" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><o:p class=""> </o:p></div></div><span style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; float: none; display: inline !important;" class="">_______________________________________________</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;" class=""><span style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; float: none; display: inline !important;" class="">users mailing list</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;" class=""><a href="mailto:users@lists.quantum-espresso.org" style="color: rgb(149, 79, 114); text-decoration: underline; font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px;" class="">users@lists.quantum-espresso.org</a><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;" class=""><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" style="color: rgb(149, 79, 114); text-decoration: underline; font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px;" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div></blockquote></div><br class=""></div></body></html>