[Wien] dstart

[Jose Alfredo Camargo Martinez]

Indeed, by using their 4feoafm.struct this error appears when running dstart. 
But I think you are ignoring a warning in lstart (invalid atomic configuration) 
and a Warning (WARNING: Specified Element 'go' not RHFS), this can be seen in 
case.outputst.

I built the 2. Struct (using the information in your 4feoafm.struct) and now I 
do not appears any error.

I conclude that his case.struct is poorly constructed.

I send you herewith the case.struct who believes.

pardon my English

 

J. Camargo Martínez






________________________________
De: "vandao at urisan.tche.br" <vandao at urisan.tche.br>
Para: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Enviado: mié,15 junio, 2011 11:30
Asunto: Re: [Wien] dstart


Dears



Sorry to bother you but the error is this: Attached the structure be used:




'DSTART' - can't open unit: 15
'DSTART' -        filename: 4feoafm.in2c
'DSTART' -          status: old          form: formatted


















>> When I try to run the following structure appears the error: Could
>> someone
>> help me
>
> Not really!
>
> Did you READ the error mesage ???
>
> You should understand that you are missing a file ...
>
> does it exist ?
>
> ls -als *.in*
>
> check the list. Most likely you may find various teste.in* files, but not
> teste.in2 or teste.in2c
>
> The struct file you attached is incomplete. It does not contain symmetry
> operations.
>
> Did you use    w2web to generate the structure ???
>
> Did you run    init_lapw   (WITHOUT previous error messages ?????)
>
>
>>
>>
>>
>> 'DSTART' - can't open unit: 15
>>   'DSTART' -        filename: teste.in2c
>>   'DSTART' -          status: old          form: formatted
>>
>>
>>
>> Annex
>>
>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> --
> -----------------------------------------
> Peter Blaha
> Inst. Materials Chemistry, TU Vienna
> Getreidemarkt 9, A-1060 Vienna, Austria
> Tel: +43-1-5880115671
> Fax: +43-1-5880115698
> email: pblaha at theochem.tuwien.ac.at
> -----------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110615/6a3c1d2b/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 2.struct
Type: application/octet-stream
Size: 4120 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110615/6a3c1d2b/attachment.dll>