[Wien] bandstrucure error

lagoun brahim lag17_brahim at yahoo.fr
Mon Sep 6 13:56:25 CEST 2010


dear wien2k user's

i have a quad proc my operating system is opensuse 10.3 64bits
i'm using the wien2k_09 version compiled with ifort11.1 and linked with mkl10.2
my question is about the bandstructure calculation :
when i insert the xcrysden.klist or change unit in .in1c from 4 to 5
i have the following message of error:

Commandline: x lapw1 -band -c
Program input is: ""

forrtl: severe (64): input conversion error, unit 5, file /home/workwien/LiIO3_band/LiIO3_band.in1c
Image              PC                Routine            Line        Source             
lapw1c             00000000005132BD  Unknown               Unknown  Unknown
lapw1c             0000000000511DC5  Unknown               Unknown  Unknown
lapw1c             00000000004B1B90  Unknown               Unknown  Unknown
lapw1c             000000000046B39A  Unknown               Unknown  Unknown
lapw1c             000000000046AB90  Unknown               Unknown  Unknown
lapw1c             000000000048DAC3  Unknown               Unknown  Unknown
lapw1c             000000000042FBEB  inilpw_                   523  inilpw.f
lapw1c             0000000000430A3C  MAIN__                     41  lapw1_tmp_.F
lapw1c             0000000000404E2C  Unknown               Unknown  Unknown
libc.so.6          00002ACFF703CB54  Unknown               Unknown  Unknown
lapw1c             0000000000404D59  Unknown               Unknown  Unknown
0.412u 0.216s 0:00.62 100.0%    0+0k 0+0io 0pf+0w
error: command   /home/wien/lapw1c lapw1.def   failed


any suggestion or help please
thank you in advance





      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100906/30ae600d/attachment.htm>


More information about the Wien mailing list