<html><head></head><body><div class="yahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div><span><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;">I'm getting the following error, any help would be appreciated. </span><br style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><br style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><div>***  Parsing and initializing</div><div><br></div><div>Parser version: 6</div><div><br></div><div>Interpreting input file 'dftb_in.hsd'</div><div>--------------------------------------------------------------------------------</div><div>Reading SK-files:</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/C-C.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/C-H.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/C-S.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/C-O.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/C-N.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/H-H.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/H-S.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/H-O.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/H-N.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/S-S.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/S-O.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/S-N.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/O-O.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/O-N.skf</div><div>  /home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/N-N.skf</div><div>Done.</div><div>At line 866 of file hsdparser.f90</div><div>Fortran runtime error: End of record</div><div><br></div><div>Error termination. Backtrace:</div><div>#0  0x7f90bbe7531a</div><div>#1  0x7f90bbe75ec5</div><div>#2  0x7f90bbe7668d</div><div>#3  0x7f90bbfec060</div><div>#4  0x7f90bbff79e9</div><div>#5  0x7f90bbfef2cc</div><div>#6  0x7f90bbfef46c</div><div>#7  0x55d49c8f592a</div><div>#8  0x55d49c8f5321</div><div>#9  0x55d49c8f54fd</div><div>#10  0x55d49c8f925c</div><div>#11  0x55d49c8f93e8</div><div>#12  0x55d49ca49be0</div><div>#13  0x55d49c8392bc</div><div>#14  0x55d49c8389ae</div><div>#15  0x7f90bb2a5b96</div><div>#16  0x55d49c8389e9</div><div>#17  0xffffffffffffffff</div><div><br></div></span><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;">Here are the contents of my hsd file:</span><br style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><br style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><div>                                                                                </div><div>Geometry = GenFormat {                                                          </div><div>  <<< "BDTTPD_n5_x192.gen"                                                      </div><div>}                                                                               </div><div>                                                                                </div><div>Hamiltonian = DFTB {                                                            </div><div>  MaxAngularMomentum {                                                          </div><div>    C = "p"                                                                     </div><div>    H = "s"                                                                     </div><div>    O = "p"                                                                     </div><div>    S = "d"                                                                     </div><div>    N = "p"                                                                     </div><div>  }                                                                             </div><div>  SlaterKosterFiles = Type2FileNames {                                          </div><div>    Prefix = "/home/jbrown/Documents/Software/DFTB_RUN_FOLDER/3ob-3-1/"         </div><div>    Separator = "-"                                                             </div><div>    Suffix = ".skf"                                                             </div><div>  }                                                                             </div><div>                                                                                </div><div>  SCC = Yes                                                                     </div><div>                                                                                </div><div>  Filling = Fermi {                                                             </div><div>    Temperature [Kelvin] = 100                                                  </div><div>  }                                                                             </div><div>                                                                                </div><div>  KPointsAndWeights = SuperCellFolding {                                        </div><div>    24 0 0                                                                      </div><div>      0 24 0                                                                    </div><div>      0 0 1                                                                     </div><div>      0.5 0.5 0.0                                                               </div><div>  }                                                                             </div><div>                                                                                </div><div>}<br><br>I built dftbplus from the master branch on github. </div></span><br style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;">I'm not quite sure if the parameters I have specified are not appropriate, or if there is an error in the parser. Here is the compiler version:</span><br style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><br style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><div>GNU Fortran (Ubuntu 7.3.0-27ubuntu1~18.04) 7.3.0</div><div>Copyright (C) 2017 Free Software Foundation, Inc.</div><div>This is free software; see the source for copying conditions.  There is NO</div><div>warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.</div></span><br style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;">And I also used the gnu make file in the /sys/ folder: </span><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;">make.x86_64-linux-gnu</span></span><br></div><div><span><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;"><br></span></span></div><div><span><span style="font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;">I have also tried adding <span>WriteHsdInput = No  to the input file but get errors like this:<br><br><span><div>WARNING!</div><div>-> The following 1 node(s) have been ignored by the parser:</div><div>(1)</div><div>Path: dftb_in/WriteHsdInput</div><div>Line: 36-36 (File: dftb_in.hsd)</div><div><br></div><div>ERROR!</div><div>-> Code halting due to the presence of errors in dftb_in file.</div><div><br></div><div>Where the error always appears on the line with <span><span style="color: rgb(0, 0, 0); font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 16px;">WriteHsdInput = No</span></span><span><div><br></div><div><br></div></span></div></span><br></span></span></span></div></div></body></html>