<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Hi Lorenzo,<div class=""><br class=""></div><div class="">The traceback points to error in the following lines of code. I’m using the 6.6 version:</div><div class=""><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> Pairs(full): 64 Pairs(included): 32 Pairs(%): 50.00</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">#0 0x7f7e1e1775cf in ???</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">#0 0x7ef9143ec5cf in ???</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">#0 0x7f1004e455cf in ???</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">#0 0x7f53ff1115cf in ???</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class="">#1 0x53ccde in __loc_scdm_k_MOD_absovg_k</div></div><div class=""><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>at /pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/loc_scdm_k.f90:263</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">#2 0x53da51 in __loc_scdm_k_MOD_localize_orbitals_k</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>at /pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/loc_scdm_k.f90:94</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class="">#3 0x4197c7 in electrons_</div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>at /pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/electrons.f90:190</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class="">#4 0x533b40 in run_pwscf_</div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>at /pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/run_pwscf.f90:144</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">#5 0x407565 in pwscf</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>at /pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/pwscf.f90:106</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">#6 0x40729c in main</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><span class="Apple-tab-span" style="white-space:pre"> </span>at /pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/pwscf.f90:40</span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><br class=""></div></div><br class=""></body></html>