[Wien] incorrect line in lapw2para?

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Jul 24 11:34:35 CEST 2006


> In version 6.3, the following lines appear in lapw2para:
> 
> # fix for NFS bug:
>   touch $case.weight $case.clmval${updn}_1 $case.vrespval${updn}_1  
> $case.help${updn}_1 $case.scf2${updn}_1
>   rm $case.weigh* $case.clmval${updn}_* $case.vrespval${updn}_*  
> $case.help${updn}_* $case.scf2${updn}_*
> 
> I suppose that at least the 'rm $case.weigh*' is wrong: when this line  
> is executed during the spin-down part, all previously generated  
> weightup files are deleted, and e.g. lapwdm can later never work.

It will be fixed in the next release (comming soon).
It should be 
 rm $case.weigh${updn}_* ....

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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