[Wien] why don't answer my question after three times sending it :(
majid moazamiii
mohamadobss at gmail.com
Sat May 14 15:50:30 CEST 2011
---------- Forwarded message ----------
From: leila moazzami <mohamadobss at 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
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