|
Migration of the SIESTA discussions to new platforms
|
|
0
|
445
|
June 10, 2024
|
|
What is the meaning of *.AVTRANS_Left-Left and Left-Right, and how to calculate the current based on them?
|
|
0
|
90
|
June 9, 2024
|
|
Alice010
|
|
0
|
345
|
April 15, 2024
|
|
Power outage during calculations
|
|
0
|
187
|
April 8, 2024
|
|
Result of transmission fuction
|
|
1
|
243
|
March 28, 2024
|
|
How to use transiesta in version 4.1.5
|
|
0
|
291
|
February 27, 2024
|
|
PHtrans calculations
|
|
0
|
288
|
February 16, 2024
|
|
Dynamical Matrix in TranSiesta Code for the Thermal Property
|
|
0
|
289
|
February 13, 2024
|
|
Error in Electrode Coordinates in SIESTA on running TBTrans
|
|
0
|
332
|
January 23, 2024
|
|
Hamiltonian Eigenvalues in 4.1-b2
|
|
2
|
1385
|
December 27, 2023
|
|
Optical spectrum of Zeolite
|
|
1
|
276
|
December 12, 2023
|
|
The relationship between TranSiesta Kpoint choice and TBtrans Kpoint choice
|
|
0
|
233
|
December 6, 2023
|
|
How to install the GPU version of Siesta
|
|
0
|
469
|
December 2, 2023
|
|
Siesta master branch, Intel MKL FATAL ERROR
|
|
3
|
386
|
November 18, 2023
|
|
Lost electron in device region during transiesta run
|
|
5
|
275
|
November 16, 2023
|
|
How to analyze the current-induced forces after transiesta calculation?
|
|
0
|
300
|
November 12, 2023
|
|
Siesta fatbands / building utilities in 5.0
|
|
0
|
306
|
October 23, 2023
|
|
Installation of Siesta and Wannier collaboration
|
|
0
|
422
|
August 4, 2023
|
|
How to solve the energy jump problem of molecular dynamics?
|
|
0
|
319
|
July 15, 2023
|
|
Siesta Bethe-Salpeter
|
|
1
|
369
|
July 11, 2023
|
|
Siesta 4.1.5 does not produce .tsde file
|
|
2
|
396
|
July 5, 2023
|
|
Homo/Lumo in transiesta
|
|
2
|
558
|
July 4, 2023
|
|
Total energy of two-probe calculations
|
|
1
|
347
|
July 4, 2023
|
|
AIMD simulation
|
|
2
|
417
|
June 20, 2023
|
|
External potential at atomic sites
|
|
1
|
376
|
June 8, 2023
|
|
The way to obtain band representation
|
|
0
|
270
|
May 24, 2023
|
|
The way to update charge density in SCF loop
|
|
0
|
283
|
May 4, 2023
|
|
Limiting the number of bands during calculations
|
|
0
|
347
|
April 24, 2023
|
|
How to compute the work function in siesta?
|
|
0
|
463
|
April 17, 2023
|
|
Quantum dot bias calculation
|
|
0
|
321
|
April 10, 2023
|