Dear Wien2K users: I have a problem here with the Wien2K_08 and I hope to get some help here.
I used Wien2K for some calculation with no problems for some 2 years. Recently I have bought a new work station and installed Wien2k there. The installation has finished with no error and I can run the program. But every time the program stopped with the following error messages shown in the dayfile: > stop error error: command /Wien2K09/lapw1 lapw1.def failed > lapw1 (12:00:46) 0.254u 0.011s 0:00.37 70.2% 0+0k 4216+672io 20pf+0w > lapw0 (12:00:42) 3.022u 0.026s 0:03.12 97.4% 0+0k 3072+1096io 16pf+0w cycle 1 (Wed Sep 9 12:00:42 JST 2009) (40/99 to go) start (Wed Sep 9 12:00:42 JST 2009) with lapw0 (40/99 to go) on localhost.localdomain with PID 17348 Calculating u1relax in /root/WIEN2k/u1relax or in the STDOUT file as: LAPW0 END forrtl: severe (71): integer divide by zero Image PC Routine Line Source lapw1 00000000004DEA82 Unknown Unknown Unknown lapw1 00000000004DEC80 Unknown Unknown Unknown lapw1 00000000004D6468 Unknown Unknown Unknown lapw1 0000000000425438 hamilt_ 375 hamilt_tmp_.F lapw1 00000000004132C4 calkpt_ 156 calkpt_tmp_.F lapw1 0000000000441B43 MAIN__ 60 lapw1_tmp_.F lapw1 0000000000409FA2 Unknown Unknown Unknown libc.so.6 000000362111C40B Unknown Unknown Unknown lapw1 0000000000409EEA Unknown Unknown Unknown > stop error I suspected some mistakes in the installations, but so for I have installed Wien2K exactly as I did in the other machine, for over 10 times, but every time it ended up with the forementioned problem. I also tried the example calculation of TiC as provided in the manual, but the problem was the same. Sincerely I hope to hear some advice to help me out of this. Best regards. ZhengMing Sun @AIST, JAPAN