<div dir="ltr">I have enough memory on the disk... and used same pool of processors as used for pw.x.<div>Yet, I am not getting why the error is appearing ??</div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Jan 9, 2018 at 4:01 PM, B S Bhushan <span dir="ltr"><<a href="mailto:ecebhushan@gmail.com" target="_blank">ecebhushan@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_quote"><div dir="ltr">Dear experts,<div><br></div><div>I am trying to calculate the DOS and PDOS of transition metal adsorbed graphene supercell.</div><div><br></div><div>DOS has been computed successfully, however I am getting problem with PDOS (projwfc.x). The error is shown below,</div><div><br></div><div>------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>---------------------</div><div><div>     Calling pprojwave .... </div><div> </div><div>  Problem Sizes </div><div>  natomwfc =          188</div><div>  nbnd     =          120</div><div>  nkstot   =          365</div><div>  npwx     =          774</div><div>  nkb      =          400</div><div> </div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%</div><div>     Error in routine davcio (10):</div><div>     error while reading from file "/home/external/iiitm/santhib/<wbr>g_fe_pd_11/./g_fe_pd_11.wfc46"</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%</div></div><div>------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>----------------------</div><div><br></div><div>Attached are the input script of vc-relax and nscf,  and the output error file.</div><div><br></div></div>
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