Índice cronológico
-
2024/10/12
Re: [SIESTA-L] Optical Properties Error
Bashdar Rahman Pirot
-
2024/10/11
[SIESTA-L] Optical Properties Error
Juliana Gonçalves
-
2024/10/02
[SIESTA-L] SIESTA School 2024
José María Escartín Esteban
-
2024/09/01
[SIESTA-L] Pseudo and orbitals
Roland Coratger
-
2024/08/31
[SIESTA-L] difference in lattice parameters after optimizattion with version 4.1.5 and 5.0.1
José Xavier
-
2024/08/19
Re: [SIESTA-L] Poor k-point scaling for large job
Nick Papior
-
2024/08/16
[SIESTA-L] Poor k-point scaling for large job
Francisco Garcia
-
2024/08/07
[SIESTA-L] [***Posible SPAM***] Re: Vibent tool
Andreea Nila
-
2024/08/07
Re: [SIESTA-L] Vibent tool
Andrei Postnikov
-
2024/07/27
[SIESTA-L] use DFT-D3 correction (version 5.0.1)
José Xavier
-
2024/07/08
[SIESTA-L] SIESTA 5.0.1 compilation issues with 2024 version of Intel OneAPI
Soumyajyoti Haldar
-
2024/06/18
Re: [SIESTA-L] About SIESTA and wannier90 interface.
Jigneshkumar Barot
-
2024/06/17
Re: [SIESTA-L] About SIESTA and wannier90 interface.
Junquera Quintana, Francisco Javier
-
2024/06/16
[SIESTA-L] About SIESTA and wannier90 interface.
Jigneshkumar Barot
-
2024/06/15
[SIESTA-L] Energy correction to charged defect calculations
Francisco Garcia
-
2024/06/11
Re: [SIESTA-L] << Siesta 5.0 + LibXC >>
Nick Papior
-
2024/06/11
Re: [SIESTA-L] Issues with building and compiling new siesta
Boubacar Traore
-
2024/06/09
[SIESTA-L] Polarization Grid for Born Charge Calculation of a large slab
Francisco Garcia
-
2024/06/07
Re: [SIESTA-L] Issues with building and compiling new siesta
Alberto Garcia
-
2024/06/07
Re: [SIESTA-L] Issues with building and compiling new siesta
Boubacar Traore
-
2024/06/06
Re: [SIESTA-L] Issues with building and compiling new siesta
I. Camps
-
2024/06/06
Re: [SIESTA-L] Issues with building and compiling new siesta
Boubacar Traore
-
2024/06/06
Re: [SIESTA-L] Issues with building and compiling new siesta
Boubacar Traore
-
2024/06/05
[SIESTA-L] Issues with building and compiling new siesta
Boubacar Traore
-
2024/06/02
[SIESTA-L] about calculating z2 invariant
Jigneshkumar Barot
-
2024/06/01
[SIESTA-L] Constrained vibrational frequency calculation
Francisco Garcia
-
2024/05/30
[SIESTA-L] NVE MD post processing
Zulfiqar Ali
-
2024/05/29
[SIESTA-L] << Siesta 5.0 + LibXC >>
I. Camps
-
2024/05/27
[SIESTA-L] Band lines
Francisco Garcia
-
2024/05/25
Re: [SIESTA-L] Tbtrans not printing Volatge and current output
El-Abed Haidar
-
2024/05/24
[SIESTA-L] Tbtrans not printing Volatge and current output
RUPESH TIWARI
-
2024/05/21
Re: [SIESTA-L] siesta with miniconda3
Nick Papior
-
2024/05/16
[SIESTA-L] siesta with miniconda3
Aleksandra Oranskaia
-
2024/05/04
[SIESTA-L] Libfdf error in SIESTA 5.0 compilation
Francisco Garcia
-
2024/04/30
[SIESTA-L] Compilation of Siesta 5.0-beta
Xiaohong Zheng
-
2024/04/26
Re: [SIESTA-L] Hole pockets in Bi
Daniel Bennett
-
2024/04/25
[SIESTA-L] Hole pockets in Bi
Roland Coratger
-
2024/04/24
Re: [SIESTA-L] Regarding SCF convergence issue during optimization
Daniel Bennett
-
2024/04/23
Re: [SIESTA-L] Regarding SCF convergence issue during optimization
Andrei Postnikov
-
2024/04/19
[SIESTA-L] Regarding SCF convergence issue during optimization
Jyotirmoy Deb
-
2024/03/12
[SIESTA-L] Bi calculations
Roland Coratger
-
2024/03/07
Re: [SIESTA-L] << SIESTA workflows systems >>
Nick Papior
-
2024/03/06
[SIESTA-L] Need Aluminium pseudo
Noor Ul Ain
-
2024/03/06
[SIESTA-L] << SIESTA workflows systems >>
I. Camps
-
2024/03/05
[SIESTA-L] Need Aluminium psf file
Noor Ul Ain
-
2024/02/23
[SIESTA-L] Problems running Denchar (siesta v5.0)
Daniel Bennett
-
2024/02/14
[SIESTA-L] 转发: The effect of vacuum size on the I/V curve
Bo Xiao
-
2024/02/12
[SIESTA-L] SIESTA DFT+U
Muthukrishnan
-
2024/01/15
[SIESTA-L] DFT+U
Reza Behjatmanesh-Ardakani
-
2024/01/11
[SIESTA-L] Question on installing siesta-max-3 and linking to dbcsr
Cheung, Christopher Tat Shun
-
2024/01/10
[SIESTA-L] SIESTA 5.0 Test suite
Andrey.Rybakov
-
2023/12/30
[SIESTA-L] Ghost atom in vacancy
Francisco Garcia
-
2023/12/26
Re: [SIESTA-L] learning
Sunetra Das
-
2023/12/25
[SIESTA-L] learning
M Mohammadi
-
2023/12/18
Re: [SIESTA-L] Grimm parameters
Nick Papior
-
2023/12/15
[SIESTA-L] Grimm parameters
Reza Behjatmanesh-Ardakani
-
2023/12/12
[SIESTA-L] [***Posible SPAM***] Re: Optical Spectrum of Zeolite - not completing
Krishna Mohan
-
2023/12/11
[SIESTA-L] [***Posible SPAM***] Optical Spectrum of Zeolite - not completing
Krishna Mohan
-
2023/12/10
Re: [SIESTA-L] converge problem in long voltage range
ELDER AUGUSTO VIANA MOTA
-
2023/12/08
[SIESTA-L] ***SPAM*** The effect of vacuum layer size on the I/V curve
Bo Xiao
-
2023/12/08
Re: [SIESTA-L] converge problem in long voltage range
El-Abed Haidar
-
2023/12/07
[SIESTA-L] converge problem in long voltage range
Yelda Kadıoglu
-
2023/11/22
[SIESTA-L] [***Posible SPAM***] Phonons for MoS2 and WS2
andreea . nila
-
2023/11/16
Re: [SIESTA-L] Passing constraint harmonic energy through constr.f
Alberto Garcia
-
2023/11/16
Re: [SIESTA-L] Passing constraint harmonic energy through constr.f
Francisco Garcia
-
2023/11/13
Re: [SIESTA-L] Passing constraint harmonic energy through constr.f
Alberto Garcia
-
2023/11/11
[SIESTA-L] pseudo-potential for K atom
Laura V
-
2023/11/11
[SIESTA-L] Bond distance constraint
Francisco Garcia
-
2023/11/11
[SIESTA-L] How to define customized parameter is input FDF file
Francisco Garcia
-
2023/11/11
[SIESTA-L] Passing constraint harmonic energy through constr.f
Francisco Garcia
-
2023/11/06
[SIESTA-L] SIESTA NEB Calculation
Muthukrishnan
-
2023/11/03
Re: [SIESTA-L] Siesta fatbands / building utilities in 5.0
Nick Papior
-
2023/10/25
Re: [SIESTA-L] Siesta fatbands / building utilities in 5.0
Daniel Bennett
-
2023/10/24
Re: [SIESTA-L] Siesta fatbands / building utilities in 5.0
Alberto Garcia
-
2023/10/20
[SIESTA-L] Siesta fatbands / building utilities in 5.0
Daniel Bennett
-
2023/10/17
[SIESTA-L] Status of QM/MM siesta
El-Abed Haidar
-
2023/10/13
[SIESTA-L] Failure to converge due to the application of [Gate] in TranSIESTA calculations.
肖威
-
2023/10/12
[SIESTA-L] transiesta convergence test and intel-mpi version
Yelda Kadıoglu
-
2023/10/01
Re: [SIESTA-L] [EXTERNAL] Re: 3 Terminal STM device.
Mohammed Ghadiyali
-
2023/09/29
Re: [SIESTA-L] Error in compiling siesta-master (28 Sep. 2023)
Alberto Garcia
-
2023/09/29
[SIESTA-L] 3 Terminal STM device.
Mohammed Ghadiyali
-
2023/09/29
Re: [SIESTA-L] 3 Terminal STM device.
Nick Papior
-
2023/09/28
[SIESTA-L] Error in compiling siesta-master (28 Sep. 2023)
Reza Behjatmanesh-Ardakani
-
2023/09/18
Re: [SIESTA-L] Error in tselecs.sh
Nick Papior
-
2023/09/15
RE: [SIESTA-L] Problem using Vibra utility
El-Abed Haidar
-
2023/09/14
Re: [SIESTA-L] Problem using Vibra utility
Sunetra Das
-
2023/09/13
Re: [SIESTA-L] Problem using Vibra utility
Andrei Postnikov
-
2023/09/13
[SIESTA-L] Error in tselecs.sh
Mohammed Ghadiyali
-
2023/09/13
Re: [SIESTA-L] GPU install siesta
Mohammed Ghadiyali
-
2023/09/13
[SIESTA-L] forrtl: severe (174): SIGSEGV, segmentation fault occurred
Yelda Kadıoglu
-
2023/09/12
[SIESTA-L] Problem using Vibra utility
Diego Lopez Alcala
-
2023/09/08
[SIESTA-L] siesta master branch, Intel MKL FATAL ERROR
Daniel Bennett
-
2023/09/06
[SIESTA-L] Vacancy formation energy with Ghost orbitals
Francisco Garcia
-
2023/09/03
Re: [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
肖威
-
2023/09/02
Re: [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
Nick Papior
-
2023/09/01
Re: [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
肖威
-
2023/08/28
Re: [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
Nick Papior
-
2023/08/28
Re: [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
yh46
-
2023/08/27
Re: [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
肖威
-
2023/08/26
Re: [SIESTA-L] Compiling siesta 4.1.5b, problem with libfdf
Daniel Bennett
-
2023/08/25
Re: [SIESTA-L] Compiling siesta 4.1.5b, problem with libfdf
Nick Papior
-
2023/08/24
[SIESTA-L] Transiesta convergence
MANOJ N MATTUR
-
2023/08/24
[SIESTA-L] Compiling siesta 4.1.5b, problem with libfdf
Daniel Bennett
-
2023/08/24
[SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
Nick Papior
-
2023/08/23
Re: [SIESTA-L] ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
肖威
-
2023/08/22
Re: [SIESTA-L] Transmission Spectrum
Nick Papior
-
2023/08/20
[SIESTA-L] GPU install siesta
Mohammed Ghadiyali
-
2023/08/18
Re: [SIESTA-L] Question about (TS.Voltage, %block TS.Elecs) in TRANSIESTA
Nick Papior
-
2023/08/17
Re: [SIESTA-L] Question about (TS.Voltage, %block TS.Elecs) in TRANSIESTA
肖威
-
2023/08/15
Re: [SIESTA-L] Question about (TS.Voltage, %block TS.Elecs) in TRANSIESTA
Nick Papior
-
2023/08/12
[SIESTA-L] Question about (TS.Voltage, %block TS.Elecs) in TRANSIESTA
肖威
-
2023/08/09
[SIESTA-L] ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA
Nick Papior
-
2023/08/08
[SIESTA-L] Question about Gate (Infinite plane) in SIESTA
肖威
-
2023/08/08
[SIESTA-L] TranSIESTA + TBtrans + sisl school -- November 13 - 17 ; 2023
Nick Papior
-
2023/08/06
Re: [SIESTA-L] Error in specifying the type of an atom!. Atoms specified is above the total number of atoms!
MANOJ N MATTUR
-
2023/08/05
Re: [SIESTA-L] Error in specifying the type of an atom!. Atoms specified is above the total number of atoms!
Nick Papior
-
2023/07/28
Re: [SIESTA-L] Dipole correction for slab calculation
Diego Lopez Alcala
-
2023/07/27
Re: [SIESTA-L] Dipole correction for slab calculation
Emilio Artacho
-
2023/07/26
[SIESTA-L] Dipole correction for slab calculation
Diego Lopez Alcala
-
2023/07/26
RE: [SIESTA-L] Error in specifying the type of an atom
El-Abed Haidar
-
2023/07/25
Re: [SIESTA-L] Error in specifying the type of an atom
I. Camps
-
2023/07/19
[SIESTA-L] Assunto: Re: Lattice parameters shorter than crystal after optimization
José Xavier
-
2023/07/18
[SIESTA-L] Unfolding phonon dispersion
Francisco Garcia
-
2023/07/18
Re: [SIESTA-L] Lattice parameters shorter than crystal after optimization
fthenak
-
2023/07/17
Re: [SIESTA-L] Lattice parameters shorter than crystal after optimization
José Xavier
-
2023/07/14
Re: [SIESTA-L] Lattice parameters shorter than crystal after optimization
fthenak
-
2023/07/14
Re: [SIESTA-L] Lattice parameters shorter than crystal after optimization
José Xavier
-
2023/07/14
Re: [SIESTA-L] Lattice parameters shorter than crystal after optimization
fthenak
-
2023/07/13
[SIESTA-L] Lattice parameters shorter than crystal after optimization
José Xavier
-
2023/06/09
[SIESTA-L] ***SPAM*** Re: ***SPAM*** Compiling SIESTA with flook
Nick Papior
-
2023/06/08
[SIESTA-L] ***SPAM*** Compiling SIESTA with flook
yh46
-
2023/06/08
[SIESTA-L] External potential in siesta calculations.
agaur
-
2023/06/07
[SIESTA-L] Two Quick transiesta questions
El-Abed Haidar
-
2023/05/25
[SIESTA-L] Core-hole pseudopotential
Rubén Soria
-
2023/05/21
[SIESTA-L] Question Regarding Relaxation Calculations in Molecular Junctions
zahra Sartipi
-
2023/05/01
Re: [SIESTA-L] How to increase the number of significant figures of energy values in .out file
agaur
-
2023/04/27
[SIESTA-L] How to increase the number of significant figures of energy values in .out file
Fanmiao Kong
-
2023/04/25
[SIESTA-L] [***Posible SPAM***] SUBSCRIBE SIESTA-L
zahra Sartipi
-
2023/04/15
Re: [SIESTA-L] Constraints in positive or negative z-direction
Ramon Sampaio Ferreira
-
2023/04/08
Re: [SIESTA-L] Constraints in positive or negative z-direction
Daniel Bennett
-
2023/04/07
[SIESTA-L] Constraints in positive or negative z-direction
Ramon Sampaio Ferreira
-
2023/03/28
[SIESTA-L] about the Transiesta calculation problem
Bo Xiao
-
2023/03/25
[SIESTA-L] about the 'You are initializing the electrode EDM'
Bo Xiao
-
2023/03/25
Re: [SIESTA-L] What is ADOS?
yh46
-
2023/03/24
[SIESTA-L] What is ADOS?
msz228074
-
2023/03/22
Re: [SIESTA-L] about the 'Electrode connectivity is not perfect'
Nick Papior
-
2023/03/22
Re: [SIESTA-L] About Work Function Calculation on Au
yh46
-
2023/03/21
[SIESTA-L] about the 'Electrode connectivity is not perfect'
Bo Xiao
-
2023/03/16
[SIESTA-L] STM Utility Inquiry
Nadia Salami
-
2023/03/16
Re: [SIESTA-L] About Work Function Calculation on Au
Alberto Garcia
-
2023/03/02
Re: [SIESTA-L] Memory problems with SOC
Daniel Bennett
-
2023/02/27
Re: [SIESTA-L] Memory problems with SOC
Nick Papior
-
2023/02/25
Re: [SIESTA-L] Does siesta consider periodicity in scattering region?
Nick Papior
-
2023/02/25
[SIESTA-L] Memory problems with SOC
Daniel Bennett
-
2023/02/24
[SIESTA-L] Does siesta consider periodicity in scattering region?
msz228074
-
2023/02/20
[SIESTA-L] [***Posible SPAM***] about the master version of siesta
Bo Xiao
-
2023/02/20
[SIESTA-L] [***Posible SPAM***] about the method to obtain the pseudo potentials
Bo Xiao
-
2023/02/16
Re: [SIESTA-L] Radial part of basis orbital
Andrei Postnikov
-
2023/02/15
Re: [SIESTA-L] Radial part of basis orbital
Emilio Artacho
-
2023/02/15
Re: [SIESTA-L] Radial part of basis orbital
Nick Papior
-
2023/02/14
Re: [SIESTA-L] Relaxation constraints, using rigid on separate groups of atoms
Nick Papior
-
2023/02/14
[SIESTA-L] Radial part of basis orbital
Francisco Garcia
-
2023/02/13
[SIESTA-L] Relaxation constraints, using rigid on separate groups of atoms
Daniel Bennett
-
2023/02/11
[SIESTA-L] Gaussian basis vs numerical basis
Francisco Garcia
-
2023/02/05
Re: [SIESTA-L] Specify file path for pseudos?
Nick Papior
-
2023/02/05
Re: [SIESTA-L] Specify file path for pseudos?
Alberto Garcia
-
2023/02/03
[SIESTA-L] Specify file path for pseudos?
Daniel Bennett
-
2023/02/02
Re: [SIESTA-L] Restarting calculations with different spin orientations
Andres Tellez Mora
-
2023/02/02
[SIESTA-L] I forgot my sign in password
Mpayami
-
2023/02/01
Re: [SIESTA-L] Restarting calculations with different spin orientations
Nick Papior
-
2023/02/01
Re: [SIESTA-L] Restarting calculations with different spin orientations
Andrei Postnikov
-
2023/01/31
[SIESTA-L] Restarting calculations with different spin orientations
Andres Tellez Mora
-
2023/01/26
Re: [SIESTA-L] DFT-D3 in Siesta package
Nick Papior
-
2023/01/26
Re: [SIESTA-L] DFT-D3 in Siesta package
Daniel Bennett
-
2023/01/25
[SIESTA-L] DFT-D3 in Siesta package
Mahbubeh Amiri
-
2023/01/24
Re: [SIESTA-L] should I choose the conda-version of siesta?
Nick Papior
-
2023/01/24
Re: [SIESTA-L] Plotting Spin Density in Supercell
Nick Papior
-
2023/01/20
[SIESTA-L] Siesta-master Pseudopotential issues
Francisco Garcia
-
2023/01/19
[SIESTA-L] Question about educational opportunities
ionut ghitiu
-
2023/01/02
[SIESTA-L] Error in compiling Siesta master branch
Fanmiao Kong
-
2022/12/31
Re: [SIESTA-L] Need help with Phonon Dispersion Band Lines in Vibra
Andrei Postnikov
-
2022/12/31
Re: [SIESTA-L] Need help with Phonon Dispersion Band Lines in Vibra
Francisco Garcia
-
2022/12/31
Re: [SIESTA-L] Need help with Phonon Dispersion Band Lines in Vibra
Francisco Garcia
-
2022/12/30
Re: [SIESTA-L] Need help with Phonon Dispersion Band Lines in Vibra
Andrei Postnikov
-
2022/12/29
[SIESTA-L] Need help with Phonon Dispersion Band Lines in Vibra
Francisco Garcia
-
2022/12/13
[SIESTA-L] Calculation terminated showing the error scf did not converge after the maximum number of steps
Jyotirmoy Deb
-
2022/12/04
[SIESTA-L] Query related to GGA+U calculation in SIESTA
Jyotirmoy Deb
-
2022/11/22
[SIESTA-L] TBTrans convergence
Laura Caputo
-
2022/11/21
[SIESTA-L] Advice on GGA+U convergence issues
Francisco Garcia
-
2022/11/17
[SIESTA-L] No q-points in force constant matrix calculation
Francisco Garcia
-
2022/11/14
[SIESTA-L] Reminder: Postdoctoral researcher (MAGNIFIC project) at ICN2 (Barcelona Area)
José María Escartín Esteban
-
2022/11/14
[SIESTA-L] Reminder: Multiple postdocs in SIESTA development (MaX project) at ICN2
José María Escartín Esteban
-
2022/11/09
Re: [SIESTA-L] Current or transmission direction
Nick Papior
-
2022/11/08
[SIESTA-L] Current or transmission direction
Yelda Kadıoglu
-
2022/11/08
Re:[SIESTA-L]
I. Camps
-
2022/11/08
Re:[SIESTA-L]
Alberto Garcia
-
2022/11/07
[SIESTA-L]
Amal Yassin
-
2022/11/07
[SIESTA-L] Postdoctoral researcher (MAGNIFIC project) at ICN2 (Barcelona Area)
José María Escartín Esteban
-
2022/11/07
[SIESTA-L] Multiple postdocs in SIESTA development (MaX project) at ICN2
José María Escartín Esteban
-
2022/10/16
[SIESTA-L] Compiling SIESTA on HPE Cray EX Supercomputer
Francisco Garcia