[Wien] Modify the supercell-structure file!
mengqiu cai
caimengqiu at yahoo.com.cn
Thu Oct 23 07:58:07 CEST 2003
Dear Stefaan ,Jeff Spirko and Kevin:
Thank your help. I have solved my quection. As Jeff Spiko said , the script of init_lapw of Wien2k_01 cased the promlem. The promlem have been overcomed by using the script of Wien2K_03.
I think this is caused by the init_lapw script. There is a section
>which used to (WIEN2k_01) look like:
> set bb=`grep WARNING $file.outputst`
>if ( $#bb > 2 ) then
>echo "$bb" # This line causes the failure
endif
The newer versions of init_lapw replace this with
set bb=`grep WARNING $file.outputst`
if ( $#bb > 2 ) then
grep WARNING $file.outputst
> endif
I have updated the code.
cai
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