[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
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