4
High
|
Distributed diagonalization on orb+k+spin
|
0
Approved
|
5
Started
|
Nick Papior
|
Nick Papior
|
Alberto Garcia
|
3
Medium
|
IO revamp
|
5
New
|
0
Unknown
|
Nick Papior
|
Nick Papior
|
|
3
Medium
|
Test implementation: Shift-and-invert parallel spectral transformation eigensolver
|
5
New
|
0
Unknown
|
Fabiano Corsetti
|
Fabiano Corsetti
|
Alberto Garcia
|
3
Medium
|
Siesta use of system symmetry
|
5
New
|
5
Started
|
Jose M Soler
|
Jose M Soler
|
|
2
Low
|
Check ESM model inclusion
|
5
New
|
5
Started
|
Nick Papior
|
Nick Papior
|
|
1
Undefined
|
Use of gridxc library
|
0
Approved
|
7
Good progress
|
Alberto Garcia
|
Alberto Garcia
|
|
1
Undefined
|
SIESTA-LINRES
|
0
Approved
|
0
Unknown
|
SIESTA-LINRES
|
Miguel Pruneda
|
|
1
Undefined
|
Lowdin-Mattheis transformation to obtain orthonormal wave functions
|
0
Approved
|
0
Unknown
|
Javier Junquera
|
Javier Junquera
|
|
1
Undefined
|
Spin-moment convergence criteria
|
0
Approved
|
0
Unknown
|
|
Nick Papior
|
|
1
Undefined
|
Integrate PSML-enabled version
|
0
Approved
|
7
Good progress
|
|
Alberto Garcia
|
|
1
Undefined
|
Extensions for TranSiesta/TBtrans
|
0
Approved
|
0
Unknown
|
Nick Papior
|
Nick Papior
|
Nick Papior
|
1
Undefined
|
Enhancements and extensions for wannierization
|
0
Approved
|
0
Unknown
|
|
Javier Junquera
|
|
1
Undefined
|
Hybrid XC functionals
|
0
Approved
|
7
Good progress
|
Yann Pouillon
|
Yann Pouillon
|
Javier Junquera
|
1
Undefined
|
Optimization of matrix-element calculations
|
3
Drafting
|
0
Unknown
|
|
Nick Papior
|
|
1
Undefined
|
New features on the Poisson solver
|
3
Drafting
|
5
Started
|
Pedro Brandimarte
|
Pedro Brandimarte
|
|
1
Undefined
|
Extend the use of refcounted data structures
|
3
Drafting
|
5
Started
|
Nick Papior
|
Alberto Garcia
|
Alberto Garcia
|
1
Undefined
|
Enhancements for the test suite
|
3
Drafting
|
0
Unknown
|
|
Yann Pouillon
|
Alberto Garcia
|
1
Undefined
|
Remove legacy fdf_global_* calls
|
4
Discussion
|
0
Unknown
|
Nick Papior
|
Nick Papior
|
Alberto Garcia
|
1
Undefined
|
Bundle of SIESTA dependencies
|
4
Discussion
|
0
Unknown
|
Yann Pouillon
|
Yann Pouillon
|
Nick Papior
|
1
Undefined
|
New strategies in TDDFT propagation
|
4
Discussion
|
5
Started
|
Pablo Lopez
|
Pablo Lopez
|
Daniel Sanchez-Portal
|
1
Undefined
|
Nudged elastic band and similar methods
|
5
New
|
1
Not started
|
Jose M Soler
|
Jose M Soler
|
|
1
Undefined
|
Support compilation of lots of small libraries in build system
|
5
New
|
5
Started
|
|
Alberto Garcia
|
|
1
Undefined
|
DFT calculation
|
5
New
|
0
Unknown
|
yuexl
|
yuexl
|
yuexl
|
1
Undefined
|
tmp file problem on execution
|
5
New
|
0
Unknown
|
|
Andre Flores dos Santos
|
|
1
Undefined
|
Compatibility of spin-orbit and LDA+U features
|
5
New
|
0
Unknown
|
Javier Junquera
|
Javier Junquera
|
|
1
Undefined
|
LDAU+SOC, taking into account local spin orientation
|
5
New
|
0
Unknown
|
Daniel Sanchez-Portal
|
Daniel Sanchez-Portal
|
|
1
Undefined
|
Modification of MD output formats
|
5
New
|
5
Started
|
Pablo Lopez
|
Pablo Lopez
|
|
1
Undefined
|
Implement meta-GGAs
|
5
New
|
1
Not started
|
Jose M Soler
|
Jose M Soler
|
|
1
Undefined
|
Improving and testing various mixing algorithms
|
5
New
|
0
Unknown
|
Nick Papior
|
Nick Papior
|
|
1
Undefined
|
New distributions for projector application
|
5
New
|
0
Unknown
|
|
Alberto Garcia
|
|
1
Undefined
|
Reimplementation of the dynamics methods
|
5
New
|
5
Started
|
Jose M Soler
|
Jose M Soler
|
|
1
Undefined
|
Implementation of Siesta + Psolver from BigDFT
|
5
New
|
5
Started
|
Pablo Lopez
|
Pablo Lopez
|
|
1
Undefined
|
Post-processing tool for band unfolding
|
5
New
|
8
Beta Available
|
Daniel Sanchez-Portal
|
Daniel Sanchez-Portal
|
|
1
Undefined
|
Band unfolding for arbitrary systems
|
5
New
|
5
Started
|
Daniel Sanchez-Portal
|
Daniel Sanchez-Portal
|
|
1
Undefined
|
Use wannier90 as a library
|
5
New
|
0
Unknown
|
Javier Junquera
|
|
|