<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:13px"><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr">Dear Respected forum members,</div><div id="yui_3_16_0_ym19_1_1479135657490_10218"><br></div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr">While relaxing the slab with 'cg' diagonalization method, I have encountered this error (Error in routine bfgs (1): NR step-length unreasonably short). In bfgs_module.f90 it says the following,</div><table data-tab-size="8" style="box-sizing: border-box; border-spacing: 0px; border-collapse: collapse; tab-size: 8; color: rgb(51, 51, 51); font-family: -apple-system, BlinkMacSystemFont, "Segoe UI", Helvetica, Arial, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", "Segoe UI Symbol"; font-size: 14px;" id="yui_3_16_0_ym19_1_1479135657490_13685"><tbody style="box-sizing: border-box;" id="yui_3_16_0_ym19_1_1479135657490_13686"><tr style="box-sizing: border-box;" id="yui_3_16_0_ym19_1_1479135657490_13687"><td style="box-sizing: border-box; padding-right: 10px; padding-left: 10px; position: relative; line-height: 20px; vertical-align: top; overflow: visible; word-wrap: normal;" id="yui_3_16_0_ym19_1_1479135657490_13688"><font face="Consolas, Liberation Mono, Menlo, Courier, monospace" id="yui_3_16_0_ym19_1_1479135657490_13945"><span style="font-size: 12px; white-space: pre-wrap;" id="yui_3_16_0_ym19_1_1479135657490_13946"> IF ( nr_step_length < eps16 ) &
CALL errore( 'bfgs', 'NR step-length unreasonably short', 1 )</span></font><br id="yui_3_16_0_ym19_1_1479135657490_13947"></td></tr></tbody></table><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr"><br></div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr"> In the forum mail archive, this error has not been mentioned. kindly let me know what would be the possible reasons for this error? <br></div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr">Thanks and regards</div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr"><br></div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr">Janardhan </div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr">Korea Institue of Science and Technology </div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr">Seoul, S.Korea</div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr"><br></div><div id="yui_3_16_0_ym19_1_1479135657490_10218" dir="ltr"><br></div><div id="yui_3_16_0_ym19_1_1479135657490_10218"><br></div><div id="yui_3_16_0_ym19_1_1479135657490_10218"><br></div><div id="yui_3_16_0_ym19_1_1479135657490_10218"> </div></div></body></html>