[DFTB-Plus-User] Generating DOS error

[Ben Hourahine]

Hello Sarah,

unless you need to calculate excited states, disable WITH_ARPACK in
make.config and then

make distcleanclean

before recompiling. Otherwise you will need to install either ARPACK or
ARPACK-ng (as per the INSTALL.rst instructions).

Regards

Ben


On 01/12/18 11:03, Sarah Gamal wrote:
> Dear Bálint,
> When I try to install the last release I get this error:
>
> /usr/bin/ld: cannot find -larpack
> collect2: error: ld returned 1 exit status
> /home/sarah/Desktop/dftbplus/prog/dftb+/make.build:28: recipe for
> target 'dftb+' failed
> make[1]: *** [dftb+] Error 1
> make[1]: Leaving directory
> '/home/sarah/Desktop/dftbplus/_build/prog/dftb+'
> makefile:57: recipe for target 'dftb+' failed
> make: *** [dftb+] Error 2
>
>
> On Fri, Nov 30, 2018 at 11:38 AM Bálint Aradi <aradi at uni-bremen.de
> <mailto:aradi at uni-bremen.de>> wrote:
>
>     Dear Sarah,
>
>     > I am trying to generate DOS file through the command
>     > "dp_dos band.out dos.dat"
>
>     Which version of DFTB+ do you use? And which kind of system do you
>     calculate?
>
>     We had a bug in dptools earlier, but this should have been fixed
>     in the
>     lastest DFTB+ release. So please try the most recent DFTB+ release
>     (18.2). If bug is still there, could you please send me your self
>     contained input, so that I can check it?
>
>       Best regards,
>
>       Bálint
>
>
>     -- 
>     Dr. Bálint Aradi
>     Bremen Center for Computational Materials Science, University of
>     Bremen
>     http://www.bccms.uni-bremen.de/cms/people/b-aradi/
>
>
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>
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-- 
      Dr. B. Hourahine, SUPA, Department of Physics,
    University of Strathclyde, John Anderson Building,
            107 Rottenrow, Glasgow G4 0NG, UK.
    +44 141 548 2325, benjamin.hourahine at strath.ac.uk

2013/4 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

   The University of Strathclyde is a charitable body,
        registered in Scotland, number SC015263

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