[ase-users] error in adding a adsorbate on a surface

Tristan Maxson tgmaxson at gmail.com
Mon Oct 27 21:03:36 CET 2014


Could you also please attach the two geometry input files so that this may
be run?

Tristan Maxson

On Mon, Oct 27, 2014 at 3:34 AM, Niels Bendtsen Halck <ntben at fysik.dtu.dk>
wrote:

> I guess we need to know what error actually is to try and help you. Could
> you attach the error message?
>
>
> Niels Bendtsen Halck
> Ph.d.-studerende
> FYS-CAMD
> DTU Fysik
> Bygning 307
> 2800 Kgs. Lyngby
> Direkte telefon 45253177
> ntben at fysik.dtu.dk
> www.fysik.dtu.dk
> ________________________________________
> Fra: ase-users-bounces at listserv.fysik.dtu.dk [
> ase-users-bounces at listserv.fysik.dtu.dk] p&#229; vegne af Satvinder Singh
> [satvinder9 at gmail.com]
> Sendt: 27. oktober 2014 08:21
> Til: ase-users at listserv.fysik.dtu.dk
> Emne: [ase-users] error in adding a adsorbate on a surface
>
> hello sir/mam.. I am new to ASE. i want to add an adsorbate on a surface .
> I have pdb format files for both surface and adsorbate. but an error
> occurs. i have attached my input here. please help me to solve this problem.
> thank you very much.
>
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