Dear users and experts,<br><br> So far, we are doing calculations using WIEN2k 11.1 version and we updated to the latest version of WIEN2k 12.1. Using 12.1 version, the calculations are not terminated in the 1st iteration (we checked for few compounds) by giving the following error. While the same case.struct file is used for the calculations in WIEN2k 11.1 and the scf calculation completed successfully. <br>
As an example I attached one structure file, which is giving the following error. <br><br>hup: Command not found.<br> LAPW0 END<br> LAPW1 END<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image PC Routine Line Source <br>
lapw2 00000000004383C8 fermi_tetra_ 518 fermi_tmp_.F<br>lapw2 000000000043799C fermi_ 111 fermi_tmp_.F<br>lapw2 0000000000467E7B MAIN__ 278 lapw2_tmp_.F<br>
lapw2 0000000000403CAC Unknown Unknown Unknown<br>libc.so.6 00002AFB29215D8E Unknown Unknown Unknown<br>lapw2 0000000000403BA9 Unknown Unknown Unknown<br>
<br>> stop error<br><br>Can you please help me to get out of this problem ? Thanks in advance.