[Wien] initiation failed

[Peter Blaha]

Make sure your directory is named Fe2O3 and the name of the struct file 
is in fact Fe2O3.struct.

Linux is case sensitive, so Fe2o3  does NOT work.

Am 07.02.2012 18:19, schrieb xiao.jianping at bccms.uni-bremen.de:
> Dear All,
>
> I want to investigate Fe2O3 (SG=167, R-3c). However, I always get crash to
> initiate calculation. It complains the Fe2O3.struct can not be found.
> Actually I have prepare Fe2O3.struct and it also read for previous
> initiation. Could you help advise what is the problem? Thanks a lot! I
> also check Al2O3 which is in directory "example_struct_files". The same
> problem occurs I guess probably it is not related with my own structure.
>
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
> continue with  inputfiles or restart with setrmt (c/r)
> c
> next is inputfiles
> ----->  in  Fe2O3.in1_st  select   RKmax ( usually 5.0 - 9.0 )
> ----->  in  Fe2O3.in2_st  select   LM's, GMAX and Fermi-Energy method
>>    inputfiles prepared	(18:16:05)
>
>     stop error: Required file Fe2O3.struct not found
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
>
>
> All the best
> Jianping
>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671