[Wien] Error in *.vectorup and *.vectordn type files unformatted in SCF and Volume Optimization

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Oct 14 09:13:09 CEST 2013

On 10/11/2013 02:56 PM, Elias Assmann wrote:
> On 10/09/2013 06:03 PM, Gavin Abo wrote:
>> I think the "/" in front of "/CoFeMnSn.vectordn" suggests that SCRATCH
>> might have been set to the root directory were user permission problems
>> can occur instead of the current directory "./"
>> [http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-May/017013.html].
> IIRC, that happens when SCRATCH is empty (or unset).
> If you want to “not use SCRATCH”, it is necessary to ‘set SCRATCH=.’.

If you "unset SCRATCH" it is ok, but setting SCRATCH to empty causes 
this problem.
It should not happen when one uses "userconfig_lapw". Anyway, it will be 
fixed in the next release.


Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 

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