Issues · siesta-project / siesta

New issue

ELSI-ELPA solver in Siesta MaX utilizes only 1 GPU?

#92 · created Mar 31, 2021 by Darnok_PL
- CLOSED
- 8
updated Apr 14, 2021
Skewed electrode calculation fails

#96 · created Apr 09, 2021 by AleksBL question
- CLOSED
- 9
updated Apr 09, 2021
mpi siesta on docker

#90 · created Mar 27, 2021 by marc barbry
- CLOSED
- 2
updated Mar 31, 2021
Cannot Install siesta on HPC bloch_unfold.F90 issues

#72 · created Jan 08, 2021 by Med Nadjib Zennir
- CLOSED
- 3
updated Jan 25, 2021
(Memory Leak)D&C Diagonalization Method

#70 · created Jan 02, 2021 by DOLLRR
- CLOSED
- 1
updated Jan 04, 2021
MPI_Comm_split error during MD simulation using siesta-master

#58 · created Oct 09, 2020 by btraore
- CLOSED
- 25
updated Nov 20, 2020
Odd MKL error for large systems

#63 · created Nov 12, 2020 by marc barbry
- CLOSED
- 8
updated Nov 13, 2020
nc / soc + neigwanted == wrong occupations

#44 · created May 25, 2020 by Nick R. Papior
- CLOSED
- 1
- 1
updated Nov 12, 2020
Siesta sources contain type mismatches (compilation failure on gfortran 10.1)

#43 · created May 24, 2020 by Jonas Lundholm Bertelsen
- CLOSED
- 5
updated Nov 11, 2020
Occupied basis states differ from valence charge when using W.psml

#60 · created Oct 20, 2020 by Flynn Walsh
- CLOSED
- 2
updated Oct 20, 2020
Voigt notation in output

#48 · created Jun 10, 2020 by Nick R. Papior
- CLOSED
- 1
- 1
updated Oct 08, 2020
Dipole correction for molecules

#49 · created Jun 15, 2020 by Nick R. Papior
- CLOSED
- 0
updated Jul 06, 2020
[util] vibra mass reading and static arrays 2 of 4 tasks completed

#39 · created Apr 28, 2020 by Nick R. Papior
- CLOSED
- 2
- 0
updated May 25, 2020
[tbt] deltaH/SE check spin-polarized calculations

#41 · created Apr 29, 2020 by Nick R. Papior
- CLOSED
- 1
updated May 18, 2020
Spin-resolved Hirshfeld and Voronoi

#42 · created May 01, 2020 by Peter KOVAL feature
- CLOSED
- 1
- 1
- 2
updated May 05, 2020
Hirshfeld and Voronoi in xml

#40 · created Apr 28, 2020 by Peter KOVAL feature
- CLOSED
- 1
- 1
- 4
updated May 05, 2020
Diag.ParallelOverK for NC and SOC

#33 · created Jan 28, 2020 by Nick R. Papior Doing feature
- CLOSED
- 1
updated Feb 21, 2020
Regarding the Geometry.Charge block

#31 · created Jan 22, 2020 by brandimarte
- CLOSED
- 2
updated Feb 11, 2020
Allow E-field parallel to semi-infinite direction when using just one electrode

#32 · created Jan 22, 2020 by Alberto Garcia Discussion
- CLOSED
- 1
updated Jan 29, 2020
Convert tags to annotated 18 of 18 tasks completed

#8 · created Oct 23, 2019 by Nick R. Papior To Do
- CLOSED
- 10
updated Nov 27, 2019