Answered questions for Siesta

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Summary Created Submitter Assignee Status
Solved 691783 Band Structure at different voltages 2020-07-09 23:14:39 UTC 2020-07-09 Elder Augusto Viana Mota Solved
Solved 691770 Losing magnetic moment in transiesta calculation 2020-07-09 06:42:47 UTC 2020-07-09 Yusuf Wicaksono Solved
Solved 691307 Orbital composition of a band 2020-06-14 12:26:53 UTC 2020-06-14 syed Solved
Answered 691014 Questions about the sisl tutorial 2020-05-28 04:27:15 UTC 2020-05-28 Yuefei Huang Answered
Solved 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
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
Answered 689184 Implementation of non-collinear spin-constrained DFT 2020-03-07 05:50:11 UTC 2020-03-07 Yun-Peng Wang Answered
Solved 688733 SIESTA 4.1 crashes if the scf cycle does not converge 2020-02-13 11:28:37 UTC 2020-02-13 Ilya Solved
Solved 688716 Help installing siesta, error on make 2020-02-13 01:29:42 UTC 2020-02-13 Oscar Xavier Solved
Answered 688578 warning as run transiesta calculation 2020-02-07 08:16:20 UTC 2020-02-07 Mwater Answered
Solved 688186 Collinear spin polarized Transiesta calculation 2020-01-22 15:49:53 UTC 2020-01-22 Sandra Rodriguez Solved
Solved 687227 erroneous reading geometry from siesta.TBT.nc 2019-12-18 08:16:52 UTC 2019-12-18 Minseon Gu Solved
Answered 687132 error in running siesta 2019-12-14 17:21:08 UTC 2019-12-14 waji ali Answered
Answered 686977 fat bands 2019-12-12 14:31:31 UTC 2019-12-12 katerina vaxevani Answered
Solved 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
Solved 686603 Converging k-points in Transiesta/TBTrans 2019-12-03 17:01:30 UTC 2019-12-03 Tristan Zaborniak Solved
Answered 686519 Psudopotential for Carbon Atom 2019-12-02 15:50:12 UTC 2019-12-02 rezabma Answered
Solved 686206 spin orbit interaction 2019-11-25 06:27:02 UTC 2019-11-25 sameer kumar mallik Solved
Answered 686095 siesta en windows 2019-11-22 02:48:37 UTC 2019-11-22 Carlos Quevedo Answered
Solved 685739 Restarting a job with different k points 2019-11-11 02:58:14 UTC 2019-11-11 Minseon Gu Solved
Solved 685651 Constraints not followed in structural relaxation? 2019-11-06 10:44:44 UTC 2019-11-06 Jan Cuperus Solved
Answered 685612 3 Terminal device 2019-11-04 15:58:16 UTC 2019-11-04 Mandar Jatkar Answered
Solved 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
Answered 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
Answered 685060 Transmission and Current not Proportional 2019-10-13 08:28:34 UTC 2019-10-13 Emerald James Answered
Answered 684898 TranSIESTA: low current values with 4.0 2019-10-10 03:34:18 UTC 2019-10-10 Tristan Zaborniak Answered
Solved 684817 TranSIESTA: N > 2 Tutorial 2019-10-08 05:18:44 UTC 2019-10-08 Tristan Zaborniak Solved
Solved 684764 TranSIESTA: Calculating I-V curve using 4.1-b3 2019-10-07 04:30:27 UTC 2019-10-07 Tristan Zaborniak Solved
Solved 684758 TranSIESTA: Bulk Electrode Repetition in x and y 2019-10-06 18:27:04 UTC 2019-10-06 Tristan Zaborniak Solved
Solved 684471 current calculation 2019-09-30 09:15:44 UTC 2019-09-30 maluneelambari Solved
Answered 684460 NEB input parameters 2019-09-30 07:04:15 UTC 2019-09-30 rezabma Answered
Answered 684183 convergence 2019-09-24 10:10:35 UTC 2019-09-24 maluneelambari Answered
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
Answered 684044 k-resolved transmission spectrum 2019-09-19 11:41:01 UTC 2019-09-19 maluneelambari Answered
Solved 683871 Negative PDOS from Green function 2019-09-12 04:53:04 UTC 2019-09-12 JunweiTong Solved
Solved 683840 Processing k-resolved quantities by sdata 2019-09-11 05:18:11 UTC 2019-09-11 JunweiTong Solved
Answered 683730 pseudo-hydrogen pseudopotential generated by fractional utility 2019-09-07 15:59:10 UTC 2019-09-07 Bruno Answered
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
Solved 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
Answered 683190 transport calculation with different electrode 2019-08-23 07:31:27 UTC 2019-08-23 maluneelambari Answered
Solved 683097 Force in the non equilibrium condition 2019-08-20 14:27:54 UTC 2019-08-20 neelanchana Solved
Solved 683079 Transmission values 2019-08-20 09:42:46 UTC 2019-08-20 neelanchana Solved
Solved 683010 Significance of Buffer Regions 2019-08-18 10:15:38 UTC 2019-08-18 Emerald James Solved
Solved 682917 Spin configuration in transiesta 2019-08-15 17:35:00 UTC 2019-08-15 Emerald James Solved
Solved 682826 buffer 2019-08-12 18:20:35 UTC 2019-08-12 maluneelambari Solved
Answered 682593 kpoints 2019-08-05 02:25:51 UTC 2019-08-05 maluneelambari Answered
Solved 682495 scattering region 2019-08-01 11:26:35 UTC 2019-08-01 maluneelambari Solved
Solved 682463 Transiesta with additional charge 2019-07-31 08:33:15 UTC 2019-07-31 Minseon Gu Solved
Answered 682431 Mesh cutoff 2019-07-30 09:42:58 UTC 2019-07-30 maluneelambari Answered
Solved 682421 transmission spectrum 2019-07-30 02:52:54 UTC 2019-07-30 maluneelambari Solved
Answered 682363 About Orbital Projected Transmission 2019-07-27 00:52:07 UTC 2019-07-27 Yuefei Huang Answered
Answered 682206 restarting traniesta 2019-07-20 12:17:07 UTC 2019-07-20 maluneelambari Answered
Solved 681813 NEB trajectory request 2019-07-05 13:43:17 UTC 2019-07-05 rezabma Solved
Solved 681785 TS.Contours.Eq.Pole 2019-07-04 06:19:00 UTC 2019-07-04 maluneelambari Solved
Answered 681594 error message when compiling 2019-06-25 17:23:54 UTC 2019-06-25 ahmad ogedengbe Answered
Solved 681397 List of all fdf arguments 2019-06-13 10:22:08 UTC 2019-06-13 Pierre Capiod Solved
Answered 681360 comparing NEB forces between siesta and FHI-aims 2019-06-12 08:19:39 UTC 2019-06-12 rezabma Answered
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
Solved 681311 PAO.BasisSize for TZP 2019-06-10 08:53:02 UTC 2019-06-10 rezabma Solved
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
Solved 681048 How to achieve the reservoir doping when using TBTrans? 2019-05-24 13:32:14 UTC 2019-05-24 Zifeng Wang Solved
Answered 680994 updating image files in NEB calculation 2019-05-22 11:54:53 UTC 2019-05-22 rezabma Answered
Solved 680984 Missing argument on command line : -V in tbtrans 2019-05-21 23:26:03 UTC 2019-05-21 Yuefei Huang Solved
Solved 680973 NEB Problem 2019-05-21 10:44:35 UTC 2019-05-21 rezabma Solved
Solved 680870 Error while using flos for "flos_h2o_neb" 2019-05-16 11:17:20 UTC 2019-05-16 rezabma Solved
Answered 680854 NEB calculations 2019-05-16 04:16:44 UTC 2019-05-16 rezabma Answered
Answered 680814 ParallelOverK in band calculation 2019-05-14 19:16:52 UTC 2019-05-14 Young Woo Choi Answered
Solved 680773 write_hsx not backwards compatible 2019-05-12 15:20:25 UTC 2019-05-12 marc barbry Solved
Solved 680700 Doubt as to Siesta's level of accuracy 2019-05-08 15:22:25 UTC 2019-05-08 Denner Ferreira Solved
Answered 680625 Using Siesta with i-PI 2019-05-04 15:26:05 UTC 2019-05-04 Vidushi Sharma Answered
Answered 680459 The electrode connectivity problem of siesta running SiP bias 2019-04-26 01:48:28 UTC 2019-04-26 Jinye Lv Answered
Solved 680447 Good screening or bad screening...... 2019-04-25 12:44:34 UTC 2019-04-25 Jianjun Mao Solved
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
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
Solved 680244 Where is Currents output in SIESTA4.1 2019-04-14 11:05:20 UTC 2019-04-14 Yuefei Huang Solved
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Answer contacts for Siesta