---------- Forwarded message ---------- From: leila moazzami <mohamado...@gmail.com> Date: Thu, 12 May 2011 23:52:51 +0430 Subject: an error in wien2k To: wien at zeus.theochem.tuwien.ac.at
dear prof blaha I am working on C32N8H16 with WIEN2K IN LINUX. 1- I upload the scf 2- make the structgen 3- Run scf with kpt=60 4- because of gmin>gmax I changed 7 to 5 in the first check.. In initialization 5- After the run when I wanted to run dos at the first phase I saw this error or even in electron density in X lapw2 forrtl: severe (24): end-of-file during read, unit 30, file /home/javad/a/a.energy Image PC Routine Line Source lapw2 0000000000827EF2 Unknown Unknown Unknown lapw2 00000000008270F2 Unknown Unknown Unknown lapw2 00000000007E4502 Unknown Unknown Unknown lapw2 00000000007ABE35 Unknown Unknown Unknown lapw2 00000000007AB722 Unknown Unknown Unknown lapw2 00000000007C4AE8 Unknown Unknown Unknown lapw2 000000000043C331 fermi_ 43 fermi_tmp_.F lapw2 0000000000465109 MAIN__ 258 lapw2_tmp_.F lapw2 0000000000409B96 Unknown Unknown Unknown libc.so.6 00002AC919210436 Unknown Unknown Unknown lapw2 0000000000409AA9 Unknown Unknown Unknown 0.920u 0.628s 0:01.58 97.4% 0+0k 0+30792io 0pf+0w error: command /usr/wien2k/lapw2 lapw2.def fail This error is in El.dens and almost similar with this in DOS I would be grateful if you answer me as soon as possible. L.Moazzami