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

[Elias Assmann]

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=.’.

>
> 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
>
>
>
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