Hello, I tried examples from siesta official page (Files-Latcon-SrTiO3, File-Si-structure...),after scf, I always got segmentation error:
Using DM_out to compute the final energy and forces No. of atoms with KB's overlaping orbs in proc 0. Max # of overlaps: 26 161 ...forrtl: severe (174): SIGSEGV, segmentation fault occurred Does anyone know how to fix it? Ps: siesta-4.1b3 and 24 cpus or 1 cpu Regards -- Liang WANG Center for Nanofabrication and System Integration Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Science 266 Fangzheng Ave, ShuiTu technology development zone, Beibei District, Chongqing, P. R. China Tel: +86-23-65935570