|
694994 |
May I have a .fdf file description for relaxation of Ti3C2 sheet?
|
2021-01-14 17:48:35 UTC
2021-01-14
|
Himadri Raha |
— |
Open |
|
|
694889 |
fermi velocity calculation
|
2021-01-11 11:27:19 UTC
2021-01-11
|
Kharwar Saurabh |
— |
Answered |
|
|
694857 |
floating orbitals
|
2021-01-09 08:42:45 UTC
2021-01-09
|
Wei |
— |
Open |
|
|
694794 |
Parallel execution strategies
|
2021-01-05 09:15:14 UTC
2021-01-05
|
JANARDHAN H L |
— |
Open |
|
|
694483 |
sisl + Wannier90
|
2020-12-12 12:56:46 UTC
2020-12-12
|
Luca Sementa |
— |
Solved |
|
|
694443 |
supercell for phononic transmission
|
2020-12-10 06:33:11 UTC
2020-12-10
|
Sushil Kumar |
— |
Solved |
|
|
694176 |
Regarding reproducing the results of 'Manipulating the voltage drop in graphene nanojunctions using gate potential'
|
2020-11-24 18:47:06 UTC
2020-11-24
|
Shubham Tyagi |
— |
Answered |
|
|
694130 |
Question about MaxSCFIterations
|
2020-11-22 06:12:05 UTC
2020-11-22
|
edwin |
— |
Answered |
|
|
694125 |
error real space spin density difference of Right electrode after ts calculation at 0 bias
|
2020-11-21 14:48:10 UTC
2020-11-21
|
翟明星 |
— |
Solved |
|
|
693920 |
transiesta setup for semi-conducting monolayer
|
2020-11-10 09:10:59 UTC
2020-11-10
|
Sushil Kumar |
— |
Answered |
|
|
693856 |
Unable to generate DMHS.nc file
|
2020-11-06 10:51:42 UTC
2020-11-06
|
sukhito teh |
— |
Solved |
|
|
693850 |
Issue with gnubands command.
|
2020-11-06 06:16:26 UTC
2020-11-06
|
Madhu Raj |
— |
Answered |
|
|
693829 |
Siesta on Cygwin problem
|
2020-11-05 08:36:38 UTC
2020-11-05
|
Pablo Álvarez Rodríguez |
— |
Solved |
|
|
693750 |
About the boundary conditions in transport direction in TRANSIESTA calculations
|
2020-10-31 08:59:19 UTC
2020-10-31
|
Wei |
— |
Solved |
|
|
693645 |
Bad DM normalization happens
|
2020-10-25 23:54:52 UTC
2020-10-25
|
seungchul |
— |
Solved |
|
|
693436 |
problem with getting current in armchair MOS2 nanoribbon in transiesta
|
2020-10-13 09:11:13 UTC
2020-10-13
|
Samaneh Soleimani-Amiri |
— |
Answered |
|
|
693395 |
Convergence issues with transiesta
|
2020-10-10 20:03:11 UTC
2020-10-10
|
Ebere Amadi |
— |
Solved |
|
|
693209 |
Query regarding TS.biasContour.NumPoints keyword
|
2020-10-02 03:39:46 UTC
2020-10-02
|
Sam |
— |
Solved |
|
|
693192 |
TranSIESTA with external electric field
|
2020-10-01 10:51:09 UTC
2020-10-01
|
Tommaso Civitarese |
— |
Answered |
|
|
693045 |
SCF ends in the middle
|
2020-09-23 08:25:25 UTC
2020-09-23
|
edwin |
— |
Solved |
|
|
693031 |
The value increases only for the second scf calculation
|
2020-09-22 07:35:36 UTC
2020-09-22
|
edwin |
— |
Solved |
|
|
693029 |
How to determine DM.MixingWeight?
|
2020-09-22 03:19:35 UTC
2020-09-22
|
edwin |
— |
Solved |
|
|
692943 |
SCF_NOT_CONV: SCF did not converge in maximum number of steps (required).
|
2020-09-16 08:19:33 UTC
2020-09-16
|
edwin |
— |
Solved |
|
|
692789 |
Reducing Transmission Broadening
|
2020-09-07 07:59:57 UTC
2020-09-07
|
Luca Sementa |
— |
Answered |
|
|
692765 |
difference of the diag method and transiesta method in two-probe
|
2020-09-05 12:07:38 UTC
2020-09-05
|
翟明星 |
— |
Solved |
|
|
692758 |
Question about fat bands calculation
|
2020-09-05 02:29:18 UTC
2020-09-05
|
Jinye Lv |
— |
Answered |
|
|
692726 |
TS CHECKS AND WARNINGS
|
2020-09-03 14:28:53 UTC
2020-09-03
|
翟明星 |
— |
Solved |
|
|
692666 |
how to bind threads
|
2020-08-30 07:22:44 UTC
2020-08-30
|
翟明星 |
— |
Solved |
|
|
692450 |
error on compiling Util/Denchar/Src
|
2020-08-19 02:38:44 UTC
2020-08-19
|
翟明星 |
— |
Solved |
|
|
692423 |
Segmentation fault after several structural optimization steps
|
2020-08-18 01:18:57 UTC
2020-08-18
|
Yuefei Huang |
— |
Solved |
|
|
692301 |
External Field versus Bias Voltage
|
2020-08-09 21:46:57 UTC
2020-08-09
|
JieZhang |
— |
Solved |
|
|
692016 |
error in siesta compiling by the Openblas for openmpi and openmp
|
2020-07-23 02:05:05 UTC
2020-07-23
|
翟明星 |
— |
Solved |
|
|
691783 |
Band Structure at different voltages
|
2020-07-09 23:14:39 UTC
2020-07-09
|
Elder Augusto Viana Mota |
— |
Solved |
|
|
691770 |
Losing magnetic moment in transiesta calculation
|
2020-07-09 06:42:47 UTC
2020-07-09
|
Yusuf Wicaksono |
— |
Solved |
|
|
691752 |
mesh cut off
|
2020-07-08 10:36:31 UTC
2020-07-08
|
maluneelambari |
— |
Answered |
|
|
691307 |
Orbital composition of a band
|
2020-06-14 12:26:53 UTC
2020-06-14
|
syed |
— |
Solved |
|
|
691014 |
Questions about the sisl tutorial
|
2020-05-28 04:27:15 UTC
2020-05-28
|
Yuefei Huang |
— |
Answered |
|
|
690137 |
WARNING! Removed 20244 elements which connect electrodes across the device region!
|
2020-04-23 20:14:54 UTC
2020-04-23
|
Elder Augusto Viana Mota |
— |
Solved |
|
|
689704 |
Problem with installing PEXSI (pole expansion and selected inversion) with siesta
|
2020-04-04 10:01:25 UTC
2020-04-04
|
Indrajit Maity |
— |
Solved |
|
|
689184 |
Implementation of non-collinear spin-constrained DFT
|
2020-03-07 05:50:11 UTC
2020-03-07
|
Yun-Peng Wang |
— |
Answered |
|
|
688733 |
SIESTA 4.1 crashes if the scf cycle does not converge
|
2020-02-13 11:28:37 UTC
2020-02-13
|
Ilya |
— |
Solved |
|
|
688716 |
Help installing siesta, error on make
|
2020-02-13 01:29:42 UTC
2020-02-13
|
Oscar Xavier |
— |
Solved |
|
|
688578 |
warning as run transiesta calculation
|
2020-02-07 08:16:20 UTC
2020-02-07
|
Mwater |
— |
Answered |
|
|
688186 |
Collinear spin polarized Transiesta calculation
|
2020-01-22 15:49:53 UTC
2020-01-22
|
Sandra Rodriguez |
— |
Solved |
|
|
687227 |
erroneous reading geometry from siesta.TBT.nc
|
2019-12-18 08:16:52 UTC
2019-12-18
|
Minseon Gu |
— |
Solved |
|
|
687132 |
error in running siesta
|
2019-12-14 17:21:08 UTC
2019-12-14
|
waji ali |
— |
Answered |
|
|
686977 |
fat bands
|
2019-12-12 14:31:31 UTC
2019-12-12
|
katerina vaxevani |
— |
Answered |
|
|
686676 |
How to fix: WARNING: Please increase the electrode size in the transport direction.
|
2019-12-05 06:37:08 UTC
2019-12-05
|
Tristan Zaborniak |
— |
Solved |
|
|
686603 |
Converging k-points in Transiesta/TBTrans
|
2019-12-03 17:01:30 UTC
2019-12-03
|
Tristan Zaborniak |
— |
Solved |
|
|
686519 |
Psudopotential for Carbon Atom
|
2019-12-02 15:50:12 UTC
2019-12-02
|
rezabma |
— |
Answered |
|
|
686206 |
spin orbit interaction
|
2019-11-25 06:27:02 UTC
2019-11-25
|
sameer kumar mallik |
— |
Solved |
|
|
686095 |
siesta en windows
|
2019-11-22 02:48:37 UTC
2019-11-22
|
Carlos Quevedo |
— |
Answered |
|
|
685739 |
Restarting a job with different k points
|
2019-11-11 02:58:14 UTC
2019-11-11
|
Minseon Gu |
— |
Solved |
|
|
685651 |
Constraints not followed in structural relaxation?
|
2019-11-06 10:44:44 UTC
2019-11-06
|
Jan Cuperus |
— |
Solved |
|
|
685612 |
3 Terminal device
|
2019-11-04 15:58:16 UTC
2019-11-04
|
Mandar Jatkar |
— |
Answered |
|
|
685475 |
Confusion about unit cell/supercell as it relates to k-point sampling
|
2019-10-28 16:23:28 UTC
2019-10-28
|
Tristan Zaborniak |
— |
Solved |
|
|
685329 |
were WFSX and Denchar utilities updated to work with spin-orbit, i.e. multiple spin components?
|
2019-10-22 16:11:28 UTC
2019-10-22
|
Oleksandr Voznyy |
— |
Answered |
|
|
685060 |
Transmission and Current not Proportional
|
2019-10-13 08:28:34 UTC
2019-10-13
|
Emerald James |
— |
Answered |
|
|
684898 |
TranSIESTA: low current values with 4.0
|
2019-10-10 03:34:18 UTC
2019-10-10
|
Tristan Zaborniak |
— |
Answered |
|
|
684817 |
TranSIESTA: N > 2 Tutorial
|
2019-10-08 05:18:44 UTC
2019-10-08
|
Tristan Zaborniak |
— |
Solved |
|
|
684764 |
TranSIESTA: Calculating I-V curve using 4.1-b3
|
2019-10-07 04:30:27 UTC
2019-10-07
|
Tristan Zaborniak |
— |
Solved |
|
|
684758 |
TranSIESTA: Bulk Electrode Repetition in x and y
|
2019-10-06 18:27:04 UTC
2019-10-06
|
Tristan Zaborniak |
— |
Solved |
|
|
684471 |
current calculation
|
2019-09-30 09:15:44 UTC
2019-09-30
|
maluneelambari |
— |
Solved |
|
|
684460 |
NEB input parameters
|
2019-09-30 07:04:15 UTC
2019-09-30
|
rezabma |
— |
Answered |
|
|
684183 |
convergence
|
2019-09-24 10:10:35 UTC
2019-09-24
|
maluneelambari |
— |
Answered |
|
|
684110 |
Is there DFT-D3 model of Grimme (Grimme et al, J. Chem. Phys. 132, 154104 (2010)) in siesta package?
|
2019-09-22 04:54:42 UTC
2019-09-22
|
azadeh ayatollahi |
— |
Answered |
|
|
684044 |
k-resolved transmission spectrum
|
2019-09-19 11:41:01 UTC
2019-09-19
|
maluneelambari |
— |
Answered |
|
|
683871 |
Negative PDOS from Green function
|
2019-09-12 04:53:04 UTC
2019-09-12
|
JunweiTong |
— |
Solved |
|
|
683840 |
Processing k-resolved quantities by sdata
|
2019-09-11 05:18:11 UTC
2019-09-11
|
JunweiTong |
— |
Solved |
|
|
683730 |
pseudo-hydrogen pseudopotential generated by fractional utility
|
2019-09-07 15:59:10 UTC
2019-09-07
|
Bruno |
— |
Answered |
|
|
683720 |
No electrode names were found, default Left/Right are expected
|
2019-09-07 08:09:51 UTC
2019-09-07
|
Mohammad Ubaid |
— |
Answered |
|
|
683326 |
error in compailing siesta by using MPI bur works for openMP+MPI
|
2019-08-26 08:37:42 UTC
2019-08-26
|
Yusuf Wicaksono |
— |
Solved |
|
|
683190 |
transport calculation with different electrode
|
2019-08-23 07:31:27 UTC
2019-08-23
|
maluneelambari |
— |
Answered |
|
|
683097 |
Force in the non equilibrium condition
|
2019-08-20 14:27:54 UTC
2019-08-20
|
neelanchana |
— |
Solved |
|
|
683079 |
Transmission values
|
2019-08-20 09:42:46 UTC
2019-08-20
|
neelanchana |
— |
Solved |
