Questions for Siesta

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Summary Created Submitter Assignee Status
Answered 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
Answered 694130 Question about MaxSCFIterations 2020-11-22 06:12:05 UTC 2020-11-22 edwin Answered
Solved 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
Answered 693920 transiesta setup for semi-conducting monolayer 2020-11-10 09:10:59 UTC 2020-11-10 Sushil Kumar Answered
Solved 693856 Unable to generate DMHS.nc file 2020-11-06 10:51:42 UTC 2020-11-06 sukhito teh Solved
Answered 693850 Issue with gnubands command. 2020-11-06 06:16:26 UTC 2020-11-06 Madhu Raj Answered
Solved 693829 Siesta on Cygwin problem 2020-11-05 08:36:38 UTC 2020-11-05 Pablo Álvarez Rodríguez Solved
Solved 693750 About the boundary conditions in transport direction in TRANSIESTA calculations 2020-10-31 08:59:19 UTC 2020-10-31 Wei Solved
Solved 693645 Bad DM normalization happens 2020-10-25 23:54:52 UTC 2020-10-25 seungchul Solved
Answered 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
Solved 693395 Convergence issues with transiesta 2020-10-10 20:03:11 UTC 2020-10-10 Ebere Amadi Solved
Solved 693209 Query regarding TS.biasContour.NumPoints keyword 2020-10-02 03:39:46 UTC 2020-10-02 Sam Solved
Answered 693192 TranSIESTA with external electric field 2020-10-01 10:51:09 UTC 2020-10-01 Tommaso Civitarese Answered
Solved 693045 SCF ends in the middle 2020-09-23 08:25:25 UTC 2020-09-23 edwin Solved
Solved 693031 The value increases only for the second scf calculation 2020-09-22 07:35:36 UTC 2020-09-22 edwin Solved
Solved 693029 How to determine DM.MixingWeight? 2020-09-22 03:19:35 UTC 2020-09-22 edwin Solved
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
Answered 692789 Reducing Transmission Broadening 2020-09-07 07:59:57 UTC 2020-09-07 Luca Sementa Answered
Solved 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
Answered 692758 Question about fat bands calculation 2020-09-05 02:29:18 UTC 2020-09-05 Jinye Lv Answered
Solved 692726 TS CHECKS AND WARNINGS 2020-09-03 14:28:53 UTC 2020-09-03 翟明星 Solved
Solved 692666 how to bind threads 2020-08-30 07:22:44 UTC 2020-08-30 翟明星 Solved
Solved 692450 error on compiling Util/Denchar/Src 2020-08-19 02:38:44 UTC 2020-08-19 翟明星 Solved
Solved 692423 Segmentation fault after several structural optimization steps 2020-08-18 01:18:57 UTC 2020-08-18 Yuefei Huang Solved
Solved 692301 External Field versus Bias Voltage 2020-08-09 21:46:57 UTC 2020-08-09 JieZhang Solved
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
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
Answered 691752 mesh cut off 2020-07-08 10:36:31 UTC 2020-07-08 maluneelambari Answered
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
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