[Q-e-developers] IMPORTANT: QE Open Invitation to Contribute

[Davide Ceresoli]

Dear QE developers,
    I confess, I also have sinned of implementing on top of QE 3.x!

Here are my inventory items:

Converse method for NMR and EPR, in collaboration with Timo Thonhauser (WFU):
http://code.google.com/p/converse-nmr/

Real time propagation TDDFT, in collaboration with Xiaofeng Qian (MIT):
http://code.google.com/p/ce-tddft/

My own customized version, very few changes, mostly in PP/ and atomic/:
http://code.google.com/p/ce-espresso/

I have a random collection of python scripts for QE and Wannier90,
that I will post on my webpage.

Few GIPAW pseudopotentials:
https://sites.google.com/site/dceresoli/pseudopotentials

QE compiled for Android phones:
https://sites.google.com/site/dceresoli/quantum-espresso-on-android

QE with very strong magnetic fields (Cai, Galli PRL 2004):
There is still a bug to be fixed: energy is not translational invariant,
but after having discussed with Wei Cai, I think I know where the
problem is.

Planned developments on GIPAW: NMR for metals, Knight shift, better
core-relaxation for hyperfine.


Best regards,
     Davide


On 10/02/2012 08:43 AM, Stefano de Gironcoli wrote:
> *=========================================**
> **
> **- OPEN INVITATION TO CONTRIBUTE -**
> **
> **TO: All users and developers who would like to share their independent**
> **local developments of tools and features written for Quantum ESPRESSO**
> **package with the community. **
> **=========================================*
>