<div dir="ltr">The comma after "prefix = 'ZnS'" is not a regular comma<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Jan 10, 2018 at 1:18 PM, jibiaoli <span dir="ltr"><<a href="mailto:jibiaoli@foxmail.com" target="_blank">jibiaoli@foxmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div>Dear All,</div><div><br></div><div>I try to do a scf calculation using pw.x, but got a strange error (below) that puzzled me the whole afternoon. Could anyone point out what wrong with the input file? Thanks a lot.</div><div> <br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>     task #         0<br>     from  read_namelists  : error #        18<br>      bad line in namelist &control: "prefix = 'ZnS'，" (error could be in the previous line)<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>Jibiao Li</div><div>Yangtze Normal University, China</div><div><br></div><div>&CONTROL                       <br>calculation = 'scf',<br>prefix = 'ZnS'，                 <br>restart_mode = 'from_scratch' ,                  <br>outdir = './' ,                  <br>pseudo_dir   = "/home/bmllzr/codes/pseudo/",<br>nstep = 100 , <br>/ <br>&SYSTEM                       <br>ibrav = 4,                   <br>celldm(1) = 7.1928551712,                 <wbr>  <br>celldm(3) = 1.6400783135,<br>nat=4,<br>ntyp=2,<br>ecutwfc=80,<br>/<br>&ELECTRONS            <br>conv_thr = 1.D-12, <br>/ <br>ATOMIC_SPECIES    <br>S   32.066   S.pbe-van_bm.UPF    <br>Zn  65.409   Zn.pbe-van.UPF <br>ATOMIC_POSITIONS crystal <br>S        0.333333333   0.666666667   0.374653315 <br>S       -0.333333333  -0.666666667   0.874653315 <br>Zn       0.333333333   0.666666667   0.000346685 <br>Zn      -0.333333333  -0.666666667   0.500346685 <br>K_POINTS automatic   <br>16 16 16 0 0 0 <br><br></div><br>______________________________<wbr>_________________<br>
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