|
Alice010
|
|
0
|
105
|
April 15, 2024
|
|
Power outage during calculations
|
|
0
|
66
|
April 8, 2024
|
|
Result of transmission fuction
|
|
1
|
126
|
March 28, 2024
|
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How to use transiesta in version 4.1.5
|
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0
|
175
|
February 27, 2024
|
|
PHtrans calculations
|
|
0
|
152
|
February 16, 2024
|
|
Dynamical Matrix in TranSiesta Code for the Thermal Property
|
|
0
|
152
|
February 13, 2024
|
|
Error in Electrode Coordinates in SIESTA on running TBTrans
|
|
0
|
205
|
January 23, 2024
|
|
Hamiltonian Eigenvalues in 4.1-b2
|
|
2
|
1210
|
December 27, 2023
|
|
Optical spectrum of Zeolite
|
|
1
|
150
|
December 12, 2023
|
|
The relationship between TranSiesta Kpoint choice and TBtrans Kpoint choice
|
|
0
|
134
|
December 6, 2023
|
|
How to install the GPU version of Siesta
|
|
0
|
225
|
December 2, 2023
|
|
Siesta master branch, Intel MKL FATAL ERROR
|
|
3
|
233
|
November 18, 2023
|
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Lost electron in device region during transiesta run
|
|
5
|
140
|
November 16, 2023
|
|
How to analyze the current-induced forces after transiesta calculation?
|
|
0
|
159
|
November 12, 2023
|
|
Siesta fatbands / building utilities in 5.0
|
|
0
|
191
|
October 23, 2023
|
|
Installation of Siesta and Wannier collaboration
|
|
0
|
294
|
August 4, 2023
|
|
How to solve the energy jump problem of molecular dynamics?
|
|
0
|
231
|
July 15, 2023
|
|
Siesta Bethe-Salpeter
|
|
1
|
258
|
July 11, 2023
|
|
Siesta 4.1.5 does not produce .tsde file
|
|
2
|
287
|
July 5, 2023
|
|
Homo/Lumo in transiesta
|
|
2
|
439
|
July 4, 2023
|
|
Total energy of two-probe calculations
|
|
1
|
244
|
July 4, 2023
|
|
AIMD simulation
|
|
2
|
301
|
June 20, 2023
|
|
External potential at atomic sites
|
|
1
|
247
|
June 8, 2023
|
|
The way to obtain band representation
|
|
0
|
200
|
May 24, 2023
|
|
The way to update charge density in SCF loop
|
|
0
|
201
|
May 4, 2023
|
|
Limiting the number of bands during calculations
|
|
0
|
236
|
April 24, 2023
|
|
How to compute the work function in siesta?
|
|
0
|
324
|
April 17, 2023
|
|
Quantum dot bias calculation
|
|
0
|
241
|
April 10, 2023
|
|
Error: "You might have an extra low-lying basis orbital for Pb"
|
|
0
|
433
|
April 10, 2023
|
|
Constraints in positive or negative z-direction
|
|
0
|
284
|
April 7, 2023
|