[CPMD-list] unknown keywords?

[Christian Tuma]

Hi,

your input file seems to be created under a non-UNIX-like operating
system in contrast to where the CPMD job runs under. That's why special
characters (^M) appear at the end of every line in your input which
confuse CPMD. 
Simply edit your input on a UNIX-like machine, make sure that these
special characters get removed.

Good luck,
Christian.


>  PATH TO THE RESTART FILES:                                &END^M/
> ... 
>  ================================================================
>  =                       UNKNOWN KEYWORDS                       =
>  = ^M                                                            =
>  =                     &SYSTEM^M                                 =
>  =                                         ANGSTROM^M            =
>  =                                                              =
>  = SYMMETRY^M                                                    =
>  =                     1^M                                       =
>  =                                         CELL^M                =
>  =                                                              =
>  = 9.65  1.0 1.0  0  0  0^M                                      =
>  =                     CUTOFF^M                                  =
>  =                                         70.0^M                =
>  ================================================================

-- 
Christian Tuma             Humboldt-Universitaet Berlin
ct at chemie.hu-berlin.de     Arbeitsgruppe Quantenchemie (Prof. Sauer)
phone: +49-30-20937140     Brook-Taylor-Str. 2, 12489 Berlin, GERMANY
fax:   +49-30-20937136     http://www.chemie.hu-berlin.de/ag_sauer