The ABINIT Users Mailing List ( CLOSED )

["D. R. Hamann" <drh@bell-labs.com>]

sederenzo@lbl.gov wrote:

> To gain experience with band2eps, I added "eivec2 4" directly after "band2 8" 
> in the file t35.in in the ABINIT/Tutorial/Work3 directory and ran
> ../../abinis <t35.files >&t35.log
>
> which generated the  output files
> t35.out, t35.log, t35o_DS2_WFK, t35o_DS1_WFK, t35o_DS1_DEN, and t35o_DS1_DDB.
>
> Note that t35i and t35o were not created.
>
> I then ran 
> ../../band2eps <t35.files >&t35.band2eps.log
>
> No eps file was created and the t35.band2eps.log file contained:
>
> Opening file t35.out                                                                                                        
> Opening file t35i                                                                                                           
> Opening file t35o                                                                                                           
> Opening file t35.in                                                                                                         
>                     
> ? FORTRAN Runtime Error:
> ? Illegal character in numeric input
> ? READ(UNIT=21,...
>
> Clearly band2eps is unhappy. Please tell me what I am doing wrong,
>
> Thanks
> Stephen Derenzo
>
>
>
>
>
>  
Dear Stephen,

There is a new tutorial included in release 4.6.3, lesson RF2, which 
includes the use of band2eps in exercise 5.  I hope this will help you out.

Don Hamann

--
D. R. Hamann                            Phone: 908-582-4454
Director, Theoretical Materials         Fax:   908-582-4868
 Physics Research (retired)             email: drh@physics.bell-labs.com
Bell Laboratories 
Lucent Technologies
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