<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="">It is possible that my answer useless, but it is worth giving a try! Sometimes this strange errors might be due to strange or hidden characters<div class="">in the input file. If I save your e-mail in text format the comma following prefix = ‘ZnS’ looks different from all the others. Just to be sure about that,</div><div class="">I’ve tried to search for the , character and that comma is the only one that is not matched by the search command.</div><div class="">I don’t know if this is just something it has happened in the e-mail or is a true problem with the input file. Try to put the comma “,” and see if it works.</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 10 Jan 2018, at 13:18, jibiaoli <<a href="mailto:jibiaoli@foxmail.com" class="">jibiaoli@foxmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div class="">Dear All,</div><div class=""><br class=""></div><div class="">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 class=""> <br class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class=""> task # 0<br class=""> from read_namelists : error # 18<br class=""> bad line in namelist &control: "prefix = 'ZnS'，" (error could be in the previous line)<br class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div class=""><br class=""></div><div class="">Jibiao Li</div><div class="">Yangtze Normal University, China</div><div class=""><br class=""></div><div class="">&CONTROL <br class="">calculation = 'scf',<br class="">prefix = 'ZnS'， <br class="">restart_mode = 'from_scratch' , <br class="">outdir = './' , <br class="">pseudo_dir = "/home/bmllzr/codes/pseudo/",<br class="">nstep = 100 , <br class="">/ <br class="">&SYSTEM <br class="">ibrav = 4, <br class="">celldm(1) = 7.1928551712, <br class="">celldm(3) = 1.6400783135,<br class="">nat=4,<br class="">ntyp=2,<br class="">ecutwfc=80,<br class="">/<br class="">&ELECTRONS <br class="">conv_thr = 1.D-12, <br class="">/ <br class="">ATOMIC_SPECIES <br class="">S 32.066 S.pbe-van_bm.UPF <br class="">Zn 65.409 Zn.pbe-van.UPF <br class="">ATOMIC_POSITIONS crystal <br class="">S 0.333333333 0.666666667 0.374653315 <br class="">S -0.333333333 -0.666666667 0.874653315 <br class="">Zn 0.333333333 0.666666667 0.000346685 <br class="">Zn -0.333333333 -0.666666667 0.500346685 <br class="">K_POINTS automatic <br class="">16 16 16 0 0 0 <br class=""><br class=""></div>_______________________________________________<br class="">Pw_forum mailing list<br class=""><a href="mailto:Pw_forum@pwscf.org" class="">Pw_forum@pwscf.org</a><br class="">http://pwscf.org/mailman/listinfo/pw_forum</div></blockquote></div><br class=""><div class="">
<div style="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; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">-- <br class=""><br class="">Giovanni Cantele, PhD<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<br class=""><a href="mailto:giovanni.cantele@spin.cnr.it" class="">e-mail: giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: http://www.researcherid.com/rid/A-1951-2009<br class="">Web page: http://people.fisica.unina.it/~cantele<br class=""></div>
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