[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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