|
685739 |
Restarting a job with different k points
|
2019-11-11 02:58:14 UTC
2019-11-11
|
Minseon Gu |
— |
Answered |
|
|
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 |
|
|
683010 |
Significance of Buffer Regions
|
2019-08-18 10:15:38 UTC
2019-08-18
|
Emerald James |
— |
Solved |
|
|
682917 |
Spin configuration in transiesta
|
2019-08-15 17:35:00 UTC
2019-08-15
|
Emerald James |
— |
Solved |
|
|
682826 |
buffer
|
2019-08-12 18:20:35 UTC
2019-08-12
|
maluneelambari |
— |
Solved |
|
|
682593 |
kpoints
|
2019-08-05 02:25:51 UTC
2019-08-05
|
maluneelambari |
— |
Answered |
|
|
682495 |
scattering region
|
2019-08-01 11:26:35 UTC
2019-08-01
|
maluneelambari |
— |
Solved |
|
|
682463 |
Transiesta with additional charge
|
2019-07-31 08:33:15 UTC
2019-07-31
|
Minseon Gu |
— |
Solved |
|
|
682431 |
Mesh cutoff
|
2019-07-30 09:42:58 UTC
2019-07-30
|
maluneelambari |
— |
Answered |
|
|
682421 |
transmission spectrum
|
2019-07-30 02:52:54 UTC
2019-07-30
|
maluneelambari |
— |
Solved |
|
|
682363 |
About Orbital Projected Transmission
|
2019-07-27 00:52:07 UTC
2019-07-27
|
Yuefei Huang |
— |
Answered |
|
|
682206 |
restarting traniesta
|
2019-07-20 12:17:07 UTC
2019-07-20
|
maluneelambari |
— |
Answered |
|
|
681813 |
NEB trajectory request
|
2019-07-05 13:43:17 UTC
2019-07-05
|
rezabma |
— |
Solved |
|
|
681785 |
TS.Contours.Eq.Pole
|
2019-07-04 06:19:00 UTC
2019-07-04
|
maluneelambari |
— |
Solved |
|
|
681594 |
error message when compiling
|
2019-06-25 17:23:54 UTC
2019-06-25
|
ahmad ogedengbe |
— |
Answered |
|
|
681447 |
restart_precision_LargeSystems_r764
|
2019-06-17 20:18:40 UTC
2019-06-17
|
Peter Christian Schmitz |
— |
Open |
|
|
681397 |
List of all fdf arguments
|
2019-06-13 10:22:08 UTC
2019-06-13
|
Pierre Capiod |
— |
Solved |
|
|
681360 |
comparing NEB forces between siesta and FHI-aims
|
2019-06-12 08:19:39 UTC
2019-06-12
|
rezabma |
— |
Answered |
|
|
681339 |
transiesta <scat.fdf>scat.out coor: Wrong number of atoms found in AtomicCoordinatesAndAtomicSpecies block ERROR STOP from Node: 0
|
2019-06-11 13:13:25 UTC
2019-06-11
|
Mandar Jatkar |
— |
Answered |
|
|
681311 |
PAO.BasisSize for TZP
|
2019-06-10 08:53:02 UTC
2019-06-10
|
rezabma |
— |
Solved |
|
|
681052 |
Problems about using SISL to generate the device .nc file
|
2019-05-24 16:41:06 UTC
2019-05-24
|
Zifeng Wang |
— |
Solved |
|
|
681048 |
How to achieve the reservoir doping when using TBTrans?
|
2019-05-24 13:32:14 UTC
2019-05-24
|
Zifeng Wang |
— |
Solved |
|
|
680994 |
updating image files in NEB calculation
|
2019-05-22 11:54:53 UTC
2019-05-22
|
rezabma |
— |
Answered |
|
|
680984 |
Missing argument on command line : -V in tbtrans
|
2019-05-21 23:26:03 UTC
2019-05-21
|
Yuefei Huang |
— |
Solved |
|
|
680973 |
NEB Problem
|
2019-05-21 10:44:35 UTC
2019-05-21
|
rezabma |
— |
Solved |
|
|
680870 |
Error while using flos for "flos_h2o_neb"
|
2019-05-16 11:17:20 UTC
2019-05-16
|
rezabma |
— |
Solved |
|
|
680854 |
NEB calculations
|
2019-05-16 04:16:44 UTC
2019-05-16
|
rezabma |
— |
Answered |
|
|
680814 |
ParallelOverK in band calculation
|
2019-05-14 19:16:52 UTC
2019-05-14
|
Young Woo Choi |
— |
Answered |
|
|
680773 |
write_hsx not backwards compatible
|
2019-05-12 15:20:25 UTC
2019-05-12
|
marc barbry |
— |
Solved |
|
|
680700 |
Doubt as to Siesta's level of accuracy
|
2019-05-08 15:22:25 UTC
2019-05-08
|
Denner Ferreira |
— |
Solved |
|
|
680625 |
Using Siesta with i-PI
|
2019-05-04 15:26:05 UTC
2019-05-04
|
Vidushi Sharma |
— |
Answered |
|
|
680459 |
The electrode connectivity problem of siesta running SiP bias
|
2019-04-26 01:48:28 UTC
2019-04-26
|
Jinye Lv |
— |
Answered |
|
|
680447 |
Good screening or bad screening......
|
2019-04-25 12:44:34 UTC
2019-04-25
|
Jianjun Mao |
— |
Solved |
|
|
680406 |
How can I get the electrostatic difference potential-voltage profile using transiesta?
|
2019-04-23 15:40:31 UTC
2019-04-23
|
Jianjun Mao |
— |
Solved |
|
|
680299 |
How to set the "electrode extension or screening region" of the scattering region in transiesta~?
|
2019-04-17 09:22:40 UTC
2019-04-17
|
Jianjun Mao |
— |
Solved |
|
|
680244 |
Where is Currents output in SIESTA4.1
|
2019-04-14 11:05:20 UTC
2019-04-14
|
Yuefei Huang |
— |
Solved |
|
|
680206 |
The lengths of scattering region and spin polarization.
|
2019-04-12 07:55:01 UTC
2019-04-12
|
Jianjun Mao |
— |
Solved |
|
|
680117 |
generation of pseudopotentiel
|
2019-04-08 10:45:58 UTC
2019-04-08
|
Maria |
— |
Solved |
|
|
679630 |
local heating in inelastica
|
2019-03-29 07:32:02 UTC
2019-03-29
|
zhikai |
— |
Solved |
|
|
679765 |
Buffer overflow detected for int_explorer during make for siesta-4.1-b4
|
2019-03-28 09:37:38 UTC
2019-03-28
|
Shreeja Das |
— |
Solved |
|
|
679192 |
Compilation of SIESTA-PEXSI
|
2019-03-14 10:13:28 UTC
2019-03-14
|
Pierre Capiod |
— |
Solved |
|
|
679159 |
how to modify .MD file
|
2019-03-13 09:31:51 UTC
2019-03-13
|
SuzyHo |
— |
Answered |
|
|
678827 |
SOI & Band structures
|
2019-02-27 10:13:40 UTC
2019-02-27
|
Jan Cuperus |
— |
Solved |
|
|
678715 |
Mixing weight for Hamiltonian
|
2019-02-22 13:19:41 UTC
2019-02-22
|
Callum Hamilton-Emery |
— |
Solved |
|
|
678698 |
tbtrans output IV information
|
2019-02-21 15:36:30 UTC
2019-02-21
|
Jianjun Mao |
— |
Solved |
|
|
678453 |
structural relaxation under finite bias using transiesta
|
2019-02-09 15:00:37 UTC
2019-02-09
|
Lingling Tao |
— |
Solved |
|
|
678412 |
HOMO/LUMO wavefunctions and Fermi Energy
|
2019-02-08 01:09:20 UTC
2019-02-08
|
Tristan Zaborniak |
— |
Answered |
|
|
678353 |
magnetic configuration of electrodes
|
2019-02-05 13:58:00 UTC
2019-02-05
|
maluneelambari |
— |
Answered |
|
|
678180 |
charged systems
|
2019-01-29 13:53:19 UTC
2019-01-29
|
Maria |
— |
Answered |
|
|
678179 |
convergence
|
2019-01-29 13:11:28 UTC
2019-01-29
|
Maria |
— |
Solved |
|
|
678178 |
compilation of siesta code with Openmp
|
2019-01-29 12:24:22 UTC
2019-01-29
|
Maria |
— |
Answered |
|
|
678018 |
direction of voltage
|
2019-01-23 11:44:45 UTC
2019-01-23
|
maluneelambari |
— |
Answered |
|
|
678012 |
siesta-4.1-b4 installation problem on Blue Gene / Q
|
2019-01-23 02:04:48 UTC
2019-01-23
|
Fatih |
— |
Solved |
|
|
677970 |
PDOS at different voltage
|
2019-01-21 18:55:49 UTC
2019-01-21
|
maluneelambari |
— |
Answered |
