QuantumATK Forum

QuantumATK => Installation and License Questions => Topic started by: debashishdashnits on September 26, 2016, 08:39

Title: Anyone having Gallium Nitride CIF file???Plz send me...
Post by: debashishdashnits on September 26, 2016, 08:39
Anyone having Gallium Nitride crystallographic Information file.Plz send me.
Title: Re: Anyone having Gallium Nitride CIF file???Plz send me...
Post by: Petr Khomyakov on September 26, 2016, 09:34
You can find it in the Database that is a part of VNL-ATK. In the Builder, click on Add -> From Database, search for GaN, double-click on GaN (hexagonal, wurtzite) in the search list to add it to Stash in the Builder.

To save it in the CIF format, you may right-click on the structure item in the Stash and export it as a CIF file.
Title: Re: Anyone having Gallium Nitride CIF file???Plz send me...
Post by: Anders Blom on September 26, 2016, 10:28
The CIF export is a bit limited, unfortunately... It always saves it as P1. But you can get symmetry information from the Crystal symmetry plugin, under Bulk tools.