[Wien] Fwd: an error in wien2k

[majid moazamiii]

---------- 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 sir

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