<div dir="ltr">Dear Professor Peter Blaha,<div><br></div><div><div><font face="arial, helvetica, sans-serif" style="font-size:12.8px"><span style="color:rgb(0,0,0);font-size:14px;white-space:pre-wrap">I am using WIEN2k 17.1 version to compute the NMR chemical shifts of a compound. All part of calculations has completed and I also got  case.outputnmt_integ file but there were not written the final NMR chemical shifts at the end of the file. I got this error:</span></font></div><div style="font-size:12.8px"><span style="color:rgb(0,0,0);font-size:14px;white-space:pre-wrap"><font face="arial, helvetica, sans-serif"><br></font></span></div><div style="font-size:12.8px"><br></div><div><div>[1]    Exit 41                       ( cd $dir; $exec -p $loop >> nmr.out.${loop} ) >& nmr.err.$loop</div><div>forrtl: severe (24): end-of-file during read, unit 57, file /home/qnt/sandeep/wien_data/C1_test/C1_test.xim_1</div><div>Image              PC                Routine            Line        Source</div><div>nmrc               00000000004DB159  Unknown               Unknown  Unknown</div><div>nmrc               000000000045F33F  sumpara_                   42  sumpara.f</div><div>nmrc               0000000000411C5E  MAIN__                     35  nmr.f</div><div>nmrc               00000000004046A6  Unknown               Unknown  Unknown</div><div>libc.so.6          000000340C81ED1D  Unknown               Unknown  Unknown</div><div>nmrc               0000000000404599  Unknown               Unknown  Unknown</div><div>forrtl: severe (24): end-of-file during read, unit 54, file /home/qnt/sandeep/wien_data/C1_test/C1_test.current_int_x</div><div>Image              PC                Routine            Line        Source</div><div>nmrc               00000000004D68A6  Unknown               Unknown  Unknown</div><div>nmrc               00000000004300A6  read_current_int_          80  read_current_tmp_.F</div><div>nmrc               000000000043AD9E  integrate_current          34  integrate_current_tmp_.F</div><div>nmrc               0000000000411C89  MAIN__                     44  nmr.f</div><div>nmrc               00000000004046A6  Unknown               Unknown  Unknown</div><div>libc.so.6          000000340C81ED1D  Unknown               Unknown  Unknown</div><div>nmrc               0000000000404599  Unknown               Unknown  Unknown</div><div><br></div><div><br></div><div><br></div><div><div style="font-size:12.8px"><font face="arial, helvetica, sans-serif">Please suggest me what should I do?  I would be thankful to you.</font></div><p class="gmail-m_2129172632406777254gmail-MsoNormal" style="font-size:12.8px"><font face="arial, helvetica, sans-serif">Waiting eagerly for your reply!</font></p><p class="gmail-m_2129172632406777254gmail-MsoNormal" style="font-size:12.8px"><span style="font-family:arial,helvetica,sans-serif;font-size:12.8px">Thanks</span><br></p><p class="gmail-m_2129172632406777254gmail-MsoNormal" style="font-size:12.8px"><span style="font-family:arial,helvetica,sans-serif;font-size:12.8px">Sandeep</span><br></p></div>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr">Dr. Sandeep Kumar, Post-doc<div><div><span style="font-size:12.8px">Department of Chemistry,</span></div><div><span style="font-size:12.8px">The Lise Meitner-Minerva Center for Computational Quantum Chemistry &</span></div><div><span style="font-size:12.8px">The Institute for </span><span style="font-size:12.8px">Nanotechnology and Advanced Materials, </span></div><div><span style="font-size:12.8px">Bar-Ilan University, Ramat-Gan 52900, Israel</span></div><div><br><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
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