<html><head></head><body><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div>Dear users,</div><div><br></div><div>I am running Wien under fortran compiler. The purpose of my calculations is to have the vibration modes of PbBr4 (1D chain).</div><div>To do so, I generated, using the Phonopy program, 30 supercells starting from the PbBr4.struct. The problem is that I did not </div><div>achieve the initialization. After running init_lapw from a terminal on one of these supercells (001.struct; attached file), and choosing the default parameters (except for Rkmax=5), I obtained the following error (dstart phase):</div><div><br></div><div><div><font color="#4c76a2">starting parallel dstart at lundi 29 janvier 2018, 17:48:36 (UTC+0100)</font></div><div><font color="#4c76a2">-------- .machine0 : processors</font></div><div><font color="#4c76a2">running dstart in single mode</font></div><div><font color="#4c76a2">forrtl: severe (174): SIGSEGV, segmentation fault occurred</font></div><div><font color="#4c76a2">Image PC Routine Line Source </font></div><div><font color="#4c76a2">dstart 00000000004C7735 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">dstart 00000000004C54F7 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">dstart 0000000000474DF4 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">dstart 0000000000474C06 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">dstart 00000000004307A9 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">dstart 00000000004344E0 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">libpthread.so.0 00007F53C2B8C330 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">dstart 0000000000404B2E reallocate_mp_dor 224 module.F</font></div><div><font color="#4c76a2">dstart 000000000040D343 recpr_ 210 recpr.f</font></div><div><font color="#4c76a2">dstart 0000000000410E9B make_inter_ 21 make_inter.F</font></div><div><font color="#4c76a2">dstart 000000000040E54B MAIN__ 21 dstart.F</font></div><div><font color="#4c76a2">dstart 00000000004030DE Unknown Unknown Unknown</font></div><div><font color="#4c76a2">libc.so.6 00007F53C1F8DF45 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">dstart 0000000000402FE9 Unknown Unknown Unknown</font></div><div><font color="#4c76a2">5.6u 0.0s 0:05.85 97.9% 0+0k 0+60008io 0pf+0w</font></div><div><font color="#4c76a2">error: command /home/versus/wien2k/dstartpara -c dstart.def failed</font></div><div><font color="#4c76a2"><br></font></div><div>I tried 2 others .struct files and I got the same error. The 001.struct seems to be right. So I really don't understand </div><div>what is happening. It would be great if someone can help resolving this case.</div><div><br></div><div>Best,</div><div><br></div><div>Hamdi</div><div><br></div><br></div></div></body></html>