<div dir="ltr"><div><br></div><div>&CONTROL</div><div> calculation='relax',</div><div> outdir='ph2w8',</div><div> prefix='bi22',</div><div> pseudo_dir='./',</div><div> verbosity='high',</div><div> nstep= 200,</div><div>/</div><div><br></div><div>&SYSTEM</div><div> ibrav=0,</div><div> celldm(1)=12.5236000000d0,</div><div> nat=56,</div><div> ntyp=3,</div><div> ecutwfc=30,</div><div> ecutrho=120,</div><div> input_dft='PBE',</div><div> occupations='smearing',</div><div> smearing='gaussian',</div><div> degauss=0.005d0,</div><div> vdw_corr='Grimme-D2',</div><div>/</div><div><br></div><div>&ELECTRONS</div><div> conv_thr=1d-06,</div><div> mixing_beta=0.7d0,</div><div><br></div><div>/</div><div><br></div><div>&ions</div><div> ion_dynamics = 'bfgs'</div><div>/</div><div><br></div><div>ATOMIC_SPECIES</div><div> H 1.007940d0 H.pbe-hgh.UPF</div><div> O 15.999400d0 O.pbe-hgh.UPF</div><div> P 30.973800d0 P.pbe-hgh.UPF</div><div><br></div><div><br></div><div>ATOMIC_POSITIONS {crystal}</div><div> P 0.0956731630d0 0.2535982630d0 0.3372878470d0</div><div> P 0.0957781400d0 0.7618832660d0 0.3330272110d0</div><div> P 0.5952826940d0 0.2517642700d0 0.3348294920d0</div><div> P 0.5949949830d0 0.7623578700d0 0.3355650080d0</div><div> P 0.3461946900d0 0.4200361600d0 0.3364880570d0</div><div> P 0.3449474960d0 0.9290705190d0 0.3379535160d0</div><div> P 0.8448411180d0 0.4196289030d0 0.3359370310d0</div><div> P 0.8458340800d0 0.9283243370d0 0.3382371560d0</div><div> P 0.3446715170d0 0.0101782860d0 0.4108670440d0</div><div> P 0.3452567300d0 0.5088400380d0 0.4083139240d0</div><div> P 0.8458321390d0 0.0107651310d0 0.4111254760d0</div><div> P 0.8464903190d0 0.5079193110d0 0.4078132780d0</div><div> P 0.0954148860d0 0.1786136430d0 0.4109142920d0</div><div> P 0.0952101760d0 0.6744372460d0 0.4044524220d0</div><div> P 0.5947235790d0 0.1771966300d0 0.4081984550d0</div><div> P 0.5966074830d0 0.6750321170d0 0.4071641890d0</div><div> P 0.1033678790d0 0.2841603950d0 0.5932255120d0</div><div> P 0.1056885200d0 0.7820841570d0 0.5951440380d0</div><div> P 0.6079894860d0 0.2826331710d0 0.5970704250d0</div><div> P 0.6051262800d0 0.7830872260d0 0.5931701620d0</div><div> P 0.3568596010d0 0.4481779090d0 0.5934327300d0</div><div> P 0.3550836440d0 0.9501004110d0 0.5918093990d0</div><div> P 0.8556384980d0 0.4523010360d0 0.5958519820d0</div><div> P 0.8556328460d0 0.9494065910d0 0.5915483540d0</div><div> P 0.3554108270d0 0.0307890500d0 0.6646216050d0</div><div> P 0.3548002910d0 0.5364461670d0 0.6655720130d0</div><div> P 0.8560886660d0 0.0312907250d0 0.6642767090d0</div><div> P 0.8561603620d0 0.5388815090d0 0.6676670440d0</div><div> P 0.1062196140d0 0.1974705970d0 0.6653280570d0</div><div> P 0.1070958140d0 0.7057407380d0 0.6680883740d0</div><div> P 0.6053956500d0 0.1974936190d0 0.6687972220d0</div><div> P 0.6039526360d0 0.7037736600d0 0.6660683450d0</div><div> H 0.5249140290d0 0.2310957040d0 0.5038030690d0</div><div> H 0.4122500650d0 0.6725996980d0 0.4966575130d0</div><div> H 0.8878842430d0 0.2440883930d0 0.5195336420d0</div><div> H 0.9443951696d0 0.7330367191d0 0.4898760271d0</div><div> O 0.3756703430d0 0.2427425400d0 0.5017152230d0</div><div> O 0.2999482060d0 0.7489325640d0 0.4986038290d0</div><div> O 0.7821085170d0 0.2640273490d0 0.4967222020d0</div><div> O 0.7933840876d0 0.7481391061d0 0.4899765531d0</div><div> H 0.3599417720d0 0.3319098570d0 0.4816143750d0</div><div> H 0.3332713190d0 0.8298354840d0 0.4762951700d0</div><div> H 0.7539352130d0 0.3760635360d0 0.4971691200d0</div><div> H 0.7663550536d0 0.8238212461d0 0.4656545211d0</div><div> H 0.7317103920d0 0.6267443590d0 0.5033660850d0</div><div> O 0.6151714500d0 0.5494352120d0 0.5018938990d0</div><div> H 0.5703231500d0 0.5344857090d0 0.5340747330d0</div><div> H 0.2935364681d0 0.5421527717d0 0.4901229078d0</div><div> O 0.2206306060d0 0.4488042477d0 0.4881751159d0</div><div> H 0.0807621126d0 0.4727430565d0 0.4893288048d0</div><div> H 0.1000217002d0 0.8370544930d0 0.5118269445d0</div><div> O 0.1705253465d0 0.9134273843d0 0.4949677784d0</div><div> H 0.3050215246d0 0.9167854744d0 0.5063467532d0</div><div> H 0.6629159138d0 0.9435470779d0 0.4749635227d0</div><div> O 0.5745241277d0 0.8774846481d0 0.4913821020d0</div><div> H 0.4402293915d0 0.9109769131d0 0.4858003825d0</div><div><br></div><div>K_POINTS {automatic}</div><div> 12 12 1 0 0 0</div><div><br></div><div>CELL_PARAMETERS {alat}</div><div> 1.000000000000d0 0.000000000000d0 0.000000000000d0</div><div> 0.000000000000d0 1.320708999999d0 0.000000000000d0</div><div> 0.000000000000d0 0.000000000000d0 4.375905500001d0</div><div><br></div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><font face="arial, helvetica, sans-serif" color="#0c343d" style="font-size:12.8px"><i>Mohammad Ubaid</i></font><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>PhD Research Scholar</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>Department of Physics</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>Jamia Millia Islamia University</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>New Delhi - 110025</i></font></div></div></div></div>
<br><div class="gmail_quote">On Fri, Jul 28, 2017 at 3:57 PM, Giovanni Cantele <span dir="ltr"><<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word">copy and paste it into the e-mail<span class="HOEnZb"><font color="#888888"><div>giovanni</div></font></span><div><div class="h5"><div><br></div><div><div><blockquote type="cite"><div>On 28 Jul 2017, at 12:26, Ubaid Mohd <<a href="mailto:onlymubaid@gmail.com" target="_blank">onlymubaid@gmail.com</a>> wrote:</div><br class="m_6411223699004376180Apple-interchange-newline"><div><div dir="ltr">how can attach the input?</div><div class="gmail_extra"><br clear="all"><div><div class="m_6411223699004376180gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><font face="arial, helvetica, sans-serif" color="#0c343d" style="font-size:12.8px"><i>Mohammad Ubaid</i></font><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>PhD Research Scholar</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>Department of Physics</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>Jamia Millia Islamia University</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>New Delhi - 110025</i></font></div></div></div></div>
<br><div class="gmail_quote">On Fri, Jul 28, 2017 at 3:54 PM, Giovanni Cantele <span dir="ltr"><<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word">maybe the editor you used on your PC inserted hidden characters that the cluster operating system<div>does not like. Maybe you could attach the input to see what is going on</div><span class="m_6411223699004376180HOEnZb"><font color="#888888"><div>Giovanni</div></font></span><div><div class="m_6411223699004376180h5"><div><br><div><blockquote type="cite"><div>On 28 Jul 2017, at 12:01, Ubaid Mohd <<a href="mailto:onlymubaid@gmail.com" target="_blank">onlymubaid@gmail.com</a>> wrote:</div><br class="m_6411223699004376180m_-7970618293498833180Apple-interchange-newline"><div><div dir="ltr">but same file is running succesfully on my pc <br></div><div class="gmail_extra"><br clear="all"><div><div class="m_6411223699004376180m_-7970618293498833180gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><font face="arial, helvetica, sans-serif" color="#0c343d" style="font-size:12.8px"><i>Mohammad Ubaid</i></font><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>PhD Research Scholar</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>Department of Physics</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>Jamia Millia Islamia University</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>New Delhi - 110025</i></font></div></div></div></div>
<br><div class="gmail_quote">On Fri, Jul 28, 2017 at 3:08 PM, Giovanni Cantele <span dir="ltr"><<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word">The error means that either there is a misspelled variable or that there is an hidden character that you should remove<div><br></div><div>Giovanni<br><div><br><div><blockquote type="cite"><div><div class="m_6411223699004376180m_-7970618293498833180h5"><div>On 28 Jul 2017, at 06:20, Ubaid Mohd <<a href="mailto:onlymubaid@gmail.com" target="_blank">onlymubaid@gmail.com</a>> wrote:</div><br class="m_6411223699004376180m_-7970618293498833180m_-2679894183407232183Apple-interchange-newline"></div></div><div><div><div class="m_6411223699004376180m_-7970618293498833180h5"><div dir="ltr"><div>Dear Users,</div><div><br></div><div>I am running a job on a cluster, every time an error "Error in routine read_namelists (19): reading namelist system" occurs. I have checked my inputs, running well on PC.What should I do?</div><div>Thanks and regards</div><div><br></div><div><div class="m_6411223699004376180m_-7970618293498833180m_-2679894183407232183gmail_signature"><div dir="ltr"><font face="arial, helvetica, sans-serif" color="#0c343d" style="font-size:12.8px"><i>Mohammad Ubaid</i></font><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>PhD Research Scholar</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>Department of Physics</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>Jamia Millia Islamia University</i></font></div><div style="color:rgb(136,136,136);font-size:12.8px"><font face="arial, helvetica, sans-serif" color="#0c343d"><i>New Delhi - 110025</i></font></div></div></div></div>
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<div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word">-- <br><br>Giovanni Cantele, PhD<br>CNR-SPIN<br>c/o Dipartimento di Fisica<br>Universita' di Napoli "Federico II"<br>Complesso Universitario M. S. Angelo - Ed. 6<br>Via Cintia, I-80126, Napoli, Italy<br>e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a><br>Phone: +39 081 676910<br>Skype contact: giocan74<br><br>ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" target="_blank">http://www.researcherid.com/ri<wbr>d/A-1951-2009</a><br>Web page: <a href="http://people.fisica.unina.it/~cantele" target="_blank">http://people.fisica.unina.it/<wbr>~cantele</a><br></div>
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<div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word">-- <br><br>Giovanni Cantele, PhD<br>CNR-SPIN<br>c/o Dipartimento di Fisica<br>Universita' di Napoli "Federico II"<br>Complesso Universitario M. S. Angelo - Ed. 6<br>Via Cintia, I-80126, Napoli, Italy<br>e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a><br>Phone: +39 081 676910<br>Skype contact: giocan74<br><br>ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" target="_blank">http://www.researcherid.com/ri<wbr>d/A-1951-2009</a><br>Web page: <a href="http://people.fisica.unina.it/~cantele" target="_blank">http://people.fisica.unina.it/<wbr>~cantele</a><br></div>
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