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Alice010
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0
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5
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April 15, 2024
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Result of transmission fuction
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1
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109
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March 28, 2024
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How to use transiesta in version 4.1.5
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0
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155
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February 27, 2024
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PHtrans calculations
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0
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139
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February 16, 2024
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Lost electron in device region during transiesta run
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5
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129
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November 16, 2023
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Siesta fatbands / building utilities in 5.0
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0
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175
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October 23, 2023
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AIMD simulation
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2
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288
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June 20, 2023
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External potential at atomic sites
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1
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232
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June 8, 2023
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The way to obtain band representation
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0
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189
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May 24, 2023
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The way to update charge density in SCF loop
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0
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193
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May 4, 2023
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Limiting the number of bands during calculations
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0
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229
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April 24, 2023
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How to compute the work function in siesta?
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0
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312
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April 17, 2023
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Constraints in positive or negative z-direction
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0
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270
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April 7, 2023
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TRansiesta InputError
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0
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197
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March 30, 2023
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Basis set optimization with spin polarization
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0
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303
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March 6, 2023
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Regarding electrodes .TSHS files in scattering region calculation
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2
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286
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February 26, 2023
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Convergence Calculation
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0
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278
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February 15, 2023
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Encountering several errors while compiling siesta with psml support
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1
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298
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February 12, 2023
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How to use PBE functional with D2 correction?
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1
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362
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January 25, 2023
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Optical loss spectra
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0
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269
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July 13, 2022
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About the accuracy of the lattest siesta-master (psml supported) version
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0
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321
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July 8, 2022
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Applying multiple gates
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0
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331
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June 30, 2022
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Files for the NEB tutorial
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2
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490
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June 21, 2022
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HSE06 hybrid functionals in siesta
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0
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424
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June 20, 2022
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Error for perturbative polarization for Li atom
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0
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346
|
June 4, 2022
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SOC matrix
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0
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274
|
April 7, 2022
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If the mess cutoff and k-point are optimized for bismuth sulfide (orthorhombic structure ), then the total energy is coming positive? How get E total negative energy
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0
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278
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April 4, 2022
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Lattice Parameter Over/Under-estimation GGA-PBE/PBEsol
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0
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561
|
September 3, 2021
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Generate Relativistic pseudopotential
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1
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398
|
August 17, 2021
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About OMP and MPI parallelisation
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3
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471
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August 16, 2021
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