Siesta

Questions for Siesta

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Summary Created Submitter Assignee Status
Open 676647 mulliken population analysis: problem with DZP basis 2018-12-06 20:25:50 UTC 2018-12-06 Dongzhe Li — Open
Answered 676622 Self energy correction in TranSIESTA 2018-12-05 16:33:29 UTC 2018-12-05 Sandra Rodriguez — Answered
Answered 676590 siesta-4.1-b4 arch.make file for intel compiler and intel mpi 2018-12-04 12:24:16 UTC 2018-12-04 Virendra Kumar — Answered
Open 676587 k resolved transmission co efficient 2018-12-04 08:30:42 UTC 2018-12-04 maluneelambari — Open
Open 676586 parallel and anti parallel configuration 2018-12-04 08:29:20 UTC 2018-12-04 maluneelambari — Open
Solved 676567 Segmentation fault in ts_au example in tbtrans with netcdf 2018-12-03 16:43:32 UTC 2018-12-03 Sergey Pyrlin — Solved
Solved 676519 How to visualize MPSH 2018-12-02 11:21:07 UTC 2018-12-02 zhikai — Solved
Solved 676413 Phononic thermal conductance 2018-11-28 11:11:05 UTC 2018-11-28 Gurvinder — Solved
Answered 676306 Simulate vacuum in scattering region in TranSiesta 2018-11-22 09:25:18 UTC 2018-11-22 Nikolay Patyukov — Answered
Answered 676230 fmpdos failing to extract pdos data 2018-11-17 13:12:28 UTC 2018-11-17 Callum Hamilton-Emery — Answered
Solved 676228 Unit of AVTRANS and AVDOS 2018-11-17 07:19:09 UTC 2018-11-17 maluneelambari — Solved
Solved 676100 siesta-4.1-b1 Compilation Error 2018-11-13 11:58:39 UTC 2018-11-13 Virendra Kumar — Solved
Answered 674857 transiesta does not converge for biased system 2018-10-08 14:37:20 UTC 2018-10-08 Leonardo Fonseca — Answered
Solved 674540 transport calculation 2018-10-01 04:48:51 UTC 2018-10-01 maluneelambari — Solved
Solved 674535 few k-points in the semi-infinite direction 2018-09-30 15:23:53 UTC 2018-09-30 ankit — Solved
Solved 674468 Compiling siesta 4 on Ubuntu 18.04 2018-09-27 21:49:11 UTC 2018-09-27 Leopold Talirz — Solved
Answered 674335 voltage drop in the symmetrical junction 2018-09-24 11:11:52 UTC 2018-09-24 zhikai — Answered
Solved 673732 calculate Hamiltonian eigenvalue in siesta-4.1-b2 2018-09-12 06:49:32 UTC 2018-09-12 zhikai — Solved
Answered 673610 Error: Blacs setup failed. parameter 6 had an illegal value in function descinit in rdiag 2018-09-09 08:27:12 UTC 2018-09-09 Franco Moitzi — Answered
Solved 673127 scaling factor 2018-08-29 14:57:53 UTC 2018-08-29 maluneelambari — Solved
Solved 672407 compilation with intel mpi 2018-08-17 10:23:49 UTC 2018-08-17 h6bx3 — Solved
Answered 671310 Troubles compiling siesta 4.1.b3 under intel compiler 2018 2018-08-02 13:56:36 UTC 2018-08-02 David L. Azevedo — Answered
Solved 671227 AVTRANS 2018-07-30 11:57:58 UTC 2018-07-30 maluneelambari — Solved
Answered 671222 IV charecteristics using siesta4.1b3 2018-07-30 04:55:06 UTC 2018-07-30 maluneelambari — Answered
Solved 671089 simulating the hysteresis I-V curve 2018-07-24 11:56:14 UTC 2018-07-24 He Wang — Solved
Solved 671080 spin transport and spin polarized transport 2018-07-24 04:53:57 UTC 2018-07-24 maluneelambari — Solved
Answered 670668 Molecular junc with Ferro elec: transiesta convergence problem at 0 bias 2018-07-05 05:54:33 UTC 2018-07-05 Dongzhe Li — Answered
Answered 670523 non-TSgamma error on Scattering region TS run 2018-06-28 05:00:10 UTC 2018-06-28 Ryan Godbey — Answered
Answered 670443 Probable bug on output of spin-orbit calculations? 2018-06-25 09:53:22 UTC 2018-06-25 Marcos Verissimo Alves — Answered
Solved 670325 Transmission coefficients 2018-06-20 02:56:59 UTC 2018-06-20 samantha poulsen — Solved
Solved 669577 spiral 2018-05-24 06:11:27 UTC 2018-05-24 teguh prayitno — Solved
Answered 669430 DOS plot using siesta 4.1 2018-05-20 14:33:29 UTC 2018-05-20 nayana devaraj — Answered
Answered 669262 error in transiesta calculations with siesta-4.1 2018-05-19 08:56:32 UTC 2018-05-19 Gurvinder — Answered
Answered 669087 intel 17+ 2018-05-15 23:33:30 UTC 2018-05-15 David Guzman — Answered
Solved 669067 regarding restarting of transiesta job 2018-05-15 13:07:25 UTC 2018-05-15 nayana devaraj — Solved
Solved 668904 regarding Erroneous electrode setup, check out-put error 2018-05-12 14:43:42 UTC 2018-05-12 nayana devaraj — Solved
Answered 668794 error in tbtrans calculation 2018-05-10 05:32:00 UTC 2018-05-10 nayana devaraj — Answered
Answered 668622 scf is not converging in transiesta calculation 2018-05-05 03:20:19 UTC 2018-05-05 nayana devaraj — Answered
Answered 668529 basal plane electrode problem in the scattering region calculation 2018-05-03 01:39:48 UTC 2018-05-03 nayana devaraj — Answered
Answered 667607 Intel 2018 + OSX + Siesta Compilation Errors when linking 2018-04-06 02:52:52 UTC 2018-04-06 Jesse Quinn — Answered
Solved 667589 TBTrans output and current vs voltage calculation 2018-04-05 09:11:06 UTC 2018-04-05 Manas — Solved
Answered 667534 Transiesta general 2018-04-04 06:23:39 UTC 2018-04-04 Prabhleen Kaur — Answered
Answered 667527 running ts_au_100_0.25V example 2018-04-03 19:13:58 UTC 2018-04-03 Herbert Fruchtl — Answered
Solved 667226 siesta netcdf4 file output 2018-03-26 02:45:15 UTC 2018-03-26 GuodongYu — Solved
Solved 667118 Hamiltonian formate and how to read it 2018-03-23 07:22:39 UTC 2018-03-23 GuodongYu — Solved
Solved 665721 convergence problem with transiesta 2018-03-16 14:50:34 UTC 2018-03-16 Samuel Dechamps — Solved
Solved 665584 failure to converge FD step function 2018-03-14 17:26:04 UTC 2018-03-14 daniel aravena — Solved
Answered 665219 User.Basis true gives seg fault 2018-03-04 21:15:54 UTC 2018-03-04 Leonardo Fonseca Nick Papior Answered
Solved 663856 Transmission and current calculation by TBTrans 2018-01-30 20:40:20 UTC 2018-01-30 Yelda Kadioglu — Solved
Solved 663311 a code that used in an artcle 2018-01-20 07:37:33 UTC 2018-01-20 sahar — Solved
Solved 662201 How to run ex_03.py in sisl/examples ? 2017-12-25 03:20:29 UTC 2017-12-25 satoru tanibayashi — Solved
Answered 661583 bad charge initialization for transiesta calculation 2017-12-11 14:58:24 UTC 2017-12-11 john — Answered
Solved 661568 what is the meaning of "ts-Vha" in the log file 2017-12-11 01:34:15 UTC 2017-12-11 john — Solved
Answered 661489 Compilation of Util/TS/tshs2tshs 2017-12-07 17:22:17 UTC 2017-12-07 Nspiller — Answered
Answered 661373 Unfinished calculations 2017-12-03 16:06:23 UTC 2017-12-03 Pengfei Ou — Answered
Answered 661150 how we can check that transiesta calculations are running in parallel 2017-11-27 16:59:45 UTC 2017-11-27 Rameshwar Lal Kumawat — Answered
Solved 661111 DOS and band structure for spin up and down 2017-11-26 18:46:17 UTC 2017-11-26 Ali Jafari — Solved
Solved 660804 mix: Pulay -- inversion failed, > SVD 2017-11-15 18:41:46 UTC 2017-11-15 David Guzman — Solved
Solved 660773 how we can install tbtrans parallel? 2017-11-15 11:19:12 UTC 2017-11-15 Rameshwar Lal Kumawat — Solved
Solved 660665 Electronic contribution to thermal conductance 2017-11-12 21:20:03 UTC 2017-11-12 David Guzman — Solved
Solved 660603 using mpich to compile siesta2.0.2 2017-11-11 08:42:45 UTC 2017-11-11 chenhao — Solved
Solved 660452 I-V curve dependence of device length along transport direction 2017-11-07 16:25:51 UTC 2017-11-07 Pengfei Ou — Solved
Solved 660447 Transiesta could not find electrode 2017-11-07 14:22:34 UTC 2017-11-07 TamWingning — Solved
Solved 660141 compilation problem of 4.1-b3 with MPI 2017-10-30 17:32:29 UTC 2017-10-30 Leonardo Fonseca — Solved
Solved 660081 error while loading shared libraries: libnetcdff.so.6: cannot open shared object file: No such file or directory 2017-10-28 16:24:47 UTC 2017-10-28 Pengfei Ou — Solved
Answered 659903 Calculation of interpolated currents at different bias 2017-10-24 19:51:55 UTC 2017-10-24 Pengfei Ou — Answered
Solved 659629 Phonon calculation 2017-10-18 18:56:18 UTC 2017-10-18 chenhao — Solved
Solved 659371 bader analyse 2017-10-13 10:16:55 UTC 2017-10-13 chenhao — Solved
Answered 659345 Variable point width in TS.Contours block? 2017-10-12 16:06:46 UTC 2017-10-12 Adam Bruce Nick Papior Answered
Solved 656738 transmission in transiesta 2017-08-23 06:02:15 UTC 2017-08-23 Ali Jafari — Solved
Answered 655482 Chemical Potential Input Options 2017-08-08 19:40:51 UTC 2017-08-08 Adam Bruce — Answered
Answered 649149 help with atom IEEE_DENORMAL 2017-07-16 10:15:46 UTC 2017-07-16 Dayler Jhair SIlva Leiva — Answered
Answered 647255 Generating formatted .rho file from Siesta 2017-07-08 23:44:37 UTC 2017-07-08 Vidushi Sharma — Answered
Answered 645457 TSHS and TDSE files 2017-06-29 05:20:39 UTC 2017-06-29 Gabrielle Brown — Answered
Answered 643768 nc file not created 2017-06-13 22:06:16 UTC 2017-06-13 Laszlo Oroszlany — Answered
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