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

[Gavin Abo]

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].

On 10/9/2013 8:56 AM, Vivek Jain wrote:
> Dear all,
> I am running wien2k version on Ubuntu 12.04 system.
> i am Calculating SCF for  CoFeMnSn heusler alloys using PBE-GGA
> 96 approximation, Rmt*Kmax = 7.0
>
> after 3 cycle completely successful run then following error occurs in dnlapw1.error file
> Error in LAPW1
>  'INILPW' - can't open unit: 10
>  'INILPW' -        filename: /CoFeMnSn.vectordn
>  'INILPW' -          status: unknown      form: unformatted
>  'LAPW1' - INILPW aborted unsuccessfully.
>
> This type (*.vectordn) of file present in folder but i am not able to 
> open *.vectordn. this error also occur when we copy the struct file in 
> other session and different folder and SCF calculation run. sometimes 
> SCF successfully run and when we do Volume optimization then same 
> problem occurs.
>
> -- 
> Vivek Kumar Jain
> Department of Physics
> MohanLal Sukhadia University,
> Udaipur

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20131009/d585e496/attachment.htm>