The ABINIT Users Mailing List ( CLOSED )

[Alain Jacques <ajs.jacques@gmail.com>]

Atompaw produces separate logderiv.0, logderiv.1, ... files. If it
finishes without producing these files (or wfn?, tprod.?, ...), it
usually means that atompaw stopped prematurely due to an error in the
input file. May I suggest to redirect atompaw output to a file to check
it later for errors in the flow and attach your own Ni input file to a
forum message for us to try to reproduce the error.

Kind regards,

Alain

jadhikari@clarku.edu wrote:
> Hi,
>
> The tutorial PAW1 went fine but the PAW2 tutorial regarding Ni does not 
> create
> any logderiv.l files.
> The section "6. Having a look at the logarithmic derivatives" suggests to 
> check
> for logderiv. These are not present as output files after running the 
> ATOMPAW
> program. I am stuck at this point.
>
> Please let me know that if it is to be plotted from other output files or 
> the
> program itself generates these? I tried to find the data containing Energy 
> and
> the log derivatives for all electron and PAW cases as mentioned in the 
> manual
> and notes.
>
> Thanking you,
> J Adhikari
> Clark University
>