[Pw_forum] Electronic band structure error

[Paolo Giannozzi]

On Thu, Sep 17, 2015 at 11:36 PM, Cameron Foss <cjfoss at umass.edu> wrote:

>
> This is a second message of two because the first mail I attached some
> input files that exceeded the maximum message body of 200KB.
>

... and not by a small amount:

From: cjfoss at umass.edu on Thu Sep 17 23:21:22 2015
Subject: Electronic band data for dense grid of kpoints
Cause: Message body is too big: 12946383 bytes with a limit of 200 KB


> I am trying to obtain electronic band data for graphene for a dense grid
> of 126040 kpoints
>

you need to increase the "npk" parameter in Modules/parameters.f90 and
recompile


>      Error in routine card_kpoints (1):
>       end of file while reading tpiba k points
>


> I have tried searching the source files for pw.x for where this error
> statement is being printed but I have yet to find it.
>

Routine card_kpoints in Modules/read_cards.f90:
$ grep 'end of file while reading' */*f90
Modules/read_cards.f90:10     CALL errore ('card_kpoints', ' end of file
while reading ' &

Paolo

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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