siesta-l  

Índice temático

• • Re: [SIESTA-L] draw a spin diagram Hamidreza Balangi
• [SIESTA-L] NBO analysis in SIESTA Mozhgan Sadeghian
• [SIESTA-L] Potential deformation Zainelabideen Y. Mijbil
• [SIESTA-L] Installation of NetCDF with CDF4 support (also installation of HDF5 and zlib) Nick Papior
  • Re: [SIESTA-L] Installation of NetCDF with CDF4 support (also installation of HDF5 and zlib) Jean-Joseph Adjizian
  • Re: [SIESTA-L] Installation of NetCDF with CDF4 support (also installation of HDF5 and zlib) I. Camps
  • Re: [SIESTA-L] Installation of NetCDF with CDF4 support (also installation of HDF5 and zlib) Nick Papior
• [SIESTA-L] vdw-df calculation ZARA NBSH
  • Re: [SIESTA-L] vdw-df calculation Максим Арсентьев
  • Re: [SIESTA-L] vdw-df calculation I. Camps
  • [SIESTA-L] vdw-df calculation ZARA NBSH
• [SIESTA-L] How to get the movie or gif files from .ani file? wjw
• [SIESTA-L] *.TBTGFL and *.TBTGFR files toufik esssakhri
  • Re: [SIESTA-L] *.TBTGFL and *.TBTGFR files Nick Papior
  • RE: [SIESTA-L] *.TBTGFL and *.TBTGFR files toufik esssakhri
  • Re: [SIESTA-L] *.TBTGFL and *.TBTGFR files Nick Papior
• [SIESTA-L] Noncollinear SpinPolarized calculation Raha khalili
  • Re: [SIESTA-L] Noncollinear SpinPolarized calculation Nick Papior
  • Re: [SIESTA-L] Noncollinear SpinPolarized calculation Raha khalili
  • Re: [SIESTA-L] Noncollinear SpinPolarized calculation Nick Papior
  • Re: [SIESTA-L] Noncollinear SpinPolarized calculation Raha khalili
  • Re: [SIESTA-L] Noncollinear SpinPolarized calculation Nick Papior
  • Re: [SIESTA-L] Noncollinear SpinPolarized calculation T. Liu
• [SIESTA-L] Difference in transmission spectrum for the +0.0 V and -0.0 V Esha Shah
  • Re: [SIESTA-L] Difference in transmission spectrum for the +0.0 V and -0.0 V Nick Papior
• [SIESTA-L] List removal Salvador Cardona Serra
  • Re: [SIESTA-L] List removal Nick Papior
• [SIESTA-L] non symmetric values of current for symmetric junction toufik esssakhri
  • Re: [SIESTA-L] non symmetric values of current for symmetric junction Nick Papior
• [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> I. Camps
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> Nick Papior
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> Jean-Joseph Adjizian
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> Nick Papior
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> I. Camps
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> Nick Papior
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> I. Camps
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> Nick Papior
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> I. Camps
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> Nick Papior
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> Jean-Joseph Adjizian
  • Re: [SIESTA-L] << compiling siesta-4.1-b1 with NetCDF >> Zeila Zanolli
• [SIESTA-L] No electrode names were found in transiesta 4.1-b1 Jariyanee Prasongkit
  • Re: [SIESTA-L] No electrode names were found in transiesta 4.1-b1 Nick Papior
• [SIESTA-L] error while changing bias toufik esssakhri
  • Re: [SIESTA-L] error while changing bias Nick Papior
• [SIESTA-L] No rule to make target `version.F90' Mahmood Naderan
• [SIESTA-L] Getting Current in Transiesta 4.1 Jean-Joseph Adjizian
  • Re: [SIESTA-L] Getting Current in Transiesta 4.1 Nick Papior
  • Re: [SIESTA-L] Getting Current in Transiesta 4.1 Jean-Joseph Adjizian
  • Re: [SIESTA-L] Getting Current in Transiesta 4.1 Nick Papior
• [SIESTA-L] problem with band structure of ZGNR maryam jamaati
• [SIESTA-L] Problem compiling siesta-4.1-b1 using mumps library Jariyanee Prasongkit
  • Re: [SIESTA-L] Problem compiling siesta-4.1-b1 using mumps library Nick Papior
• [SIESTA-L] to bug or not to bug! Mersad Mostaghimi
  • Re: [SIESTA-L] to bug or not to bug! Alberto Garcia
• [SIESTA-L] << error compiling siesta-4.1-b1 in m_mixing.F90 >> I. Camps
  • Re: [SIESTA-L] << error compiling siesta-4.1-b1 in m_mixing.F90 >> Alberto Garcia
• [SIESTA-L] Solving siesta-4.0 build errors Mahmood Naderan
• [SIESTA-L] Siesta-4.0 with OpenMPI Mahmood Naderan
  • Re: [SIESTA-L] Siesta-4.0 with OpenMPI Nick Papior
• [SIESTA-L] transiesta calculation+temperature anita dameh
  • Re: [SIESTA-L] transiesta calculation+temperature Nick Papior
  • Re: [SIESTA-L] transiesta calculation+temperature anita dameh
  • Re: [SIESTA-L] transiesta calculation+temperature Nick Papior
• [SIESTA-L] z coordinates from output differnt from input toufik esssakhri
  • Re: [SIESTA-L] z coordinates from output differnt from input RAJAN SINGH
  • RE: [SIESTA-L] z coordinates from output differnt from input toufik esssakhri
• [SIESTA-L] Compilation error of Siesta 4.1(b1) Jariyanee Prasongkit
  • [SIESTA-L] Bug fix for MRRR switch-off option (Re: Compilation error of Siesta 4.1(b1)) Alberto Garcia
  • Re: [SIESTA-L] Compilation error of Siesta 4.1(b1) Nick Papior
• [SIESTA-L] problem with gnubands Uttam Paliwal
  • Re: [SIESTA-L] problem with gnubands Alberto Garcia
  • Re: [SIESTA-L] problem with gnubands Uttam Paliwal
  • Re: [SIESTA-L] problem with gnubands Suman Chowdhury
  • Re: [SIESTA-L] problem with gnubands Uttam Paliwal
  • Re: [SIESTA-L] problem with gnubands Suman Chowdhury
  • Re: [SIESTA-L] problem with gnubands Uttam Paliwal
  • Re: [SIESTA-L] problem with gnubands Suman Chowdhury
  • Re: [SIESTA-L] problem with gnubands Uttam Paliwal
  • Re: [SIESTA-L] problem with gnubands Nick Papior
• [SIESTA-L] "The electrodes are not situated in the same coordinates. Please correct." error toufik esssakhri
• [SIESTA-L] How to get the net charge of individual atom Barnali Bhattacharya
  • Re: [SIESTA-L] How to get the net charge of individual atom Максим Арсентьев
  • Re: [SIESTA-L] How to get the net charge of individual atom I. Camps
  • Re: [SIESTA-L] How to get the net charge of individual atom Barnali Bhattacharya
  • Re: [SIESTA-L] How to get the net charge of individual atom I. Camps
  • Re: [SIESTA-L] How to get the net charge of individual atom gagandeep Kaur
• [SIESTA-L] fortran run time error with gnubands Uttam Paliwal
• [SIESTA-L] Dear all, toufik esssakhri
  • Re: [SIESTA-L] Dear all, Nick Papior
• [SIESTA-L] Discrepancy in orbital shapes with TS/Siesta/G09 Joscha Hekele
  • Re: [SIESTA-L] Discrepancy in orbital shapes with TS/Siesta/G09 Nick Papior
  • Re: [SIESTA-L] Discrepancy in orbital shapes with TS/Siesta/G09 Joscha Hekele
  • Re: [SIESTA-L] Discrepancy in orbital shapes with TS/Siesta/G09 Nick Papior
  • Re: [SIESTA-L] Discrepancy in orbital shapes with TS/Siesta/G09 Joscha Hekele
  • Re: [SIESTA-L] Discrepancy in orbital shapes with TS/Siesta/G09 Nick Papior
  • Re: [SIESTA-L] Discrepancy in orbital shapes with TS/Siesta/G09 Joscha Hekele
  • Re: [SIESTA-L] Discrepancy in orbital shapes with TS/Siesta/G09 Nick Papior
• [SIESTA-L] transiesta calculations in parallel on a cluster azar ostovan
  • Re: [SIESTA-L] transiesta calculations in parallel on a cluster Nick Papior
  • Re: [SIESTA-L] transiesta calculations in parallel on a cluster Mahmood Naderan
  • Re: [SIESTA-L] transiesta calculations in parallel on a cluster Nick Papior
  • Re: [SIESTA-L] transiesta calculations in parallel on a cluster Mahmood Naderan
  • Re: [SIESTA-L] transiesta calculations in parallel on a cluster Nick Papior
• [SIESTA-L] pdos in siesta amrish sharma
  • Re: [SIESTA-L] pdos in siesta Javier Junquera
• [SIESTA-L] Beta-release of Siesta 4.1 (b1) Nick Papior
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) Suman Chowdhury
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) Anita Rani
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) Nick Papior
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) Simona Achilli
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) Nick Papior
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) I. Camps
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) Nick Papior
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) I. Camps
  • RE: [SIESTA-L] Beta-release of Siesta 4.1 (b1) Xiaoming Wang
  • Re: [SIESTA-L] Beta-release of Siesta 4.1 (b1) Nick Papior
  • Re:[SIESTA-L] Beta-release of Siesta 4.1 (b1) 周本良
• [SIESTA-L] electrode and scattering setup toufik esssakhri
• [SIESTA-L] Fortran runtime error Mahmood Naderan
  • Re: [SIESTA-L] Fortran runtime error Nick Papior
  • Re: [SIESTA-L] Fortran runtime error Mahmood Naderan
  • Re: [SIESTA-L] Fortran runtime error Nick Papior
• [SIESTA-L] Inelastica - bond currents Luk Keh
  • Re: [SIESTA-L] Inelastica - bond currents Nick Papior
  • Re: [SIESTA-L] Inelastica - bond currents Luk Keh
  • Re: [SIESTA-L] Inelastica - bond currents Nick Papior
  • Re: [SIESTA-L] Inelastica - bond currents Luk Keh
  • Re: [SIESTA-L] Inelastica - bond currents Gabriele Penazzi
  • Re: [SIESTA-L] Inelastica - bond currents Magnus Paulsson
  • Re: [SIESTA-L] Inelastica - bond currents Luk Keh
• [SIESTA-L] vdw pseudos amrish sharma
• Re: [SIESTA-L] Problem with Optical Calculation in siesta-4.0b-485 Nick Papior
• Re: [SIESTA-L] vdW Pseudos in SIESTA Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] vdW Pseudos in SIESTA Seyed Mohammad Tabatabaei
• [SIESTA-L] LDA Basis Set for Fluorine Dan Gil
  • Re: [SIESTA-L] LDA Basis Set for Fluorine RAJAN SINGH
  • Re: [SIESTA-L] LDA Basis Set for Fluorine Dan Gil
  • Re: [SIESTA-L] LDA Basis Set for Fluorine RAJAN SINGH
• [SIESTA-L] Warning for vdW Calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] Warning for vdW Calculations Seyed Mohammad Tabatabaei
• [SIESTA-L] transmission spectra anita dameh
  • Re: [SIESTA-L] transmission spectra Anita Rani
  • Re: [SIESTA-L] transmission spectra Nick Papior
  • Re: [SIESTA-L] transmission spectra anita dameh
• [SIESTA-L] Research Articles on Bandstucture Younas Khan
  • Re: [SIESTA-L] Research Articles on Bandstucture Matías Soto C .
  • Re: [SIESTA-L] Research Articles on Bandstucture Younas Khan
  • Re: [SIESTA-L] Research Articles on Bandstucture Riccardo Rurali
  • Re: [SIESTA-L] Research Articles on Bandstucture Younas Khan
  • Re: [SIESTA-L] Research Articles on Bandstucture Matías Soto C .
• [SIESTA-L] TS convergence problems with a disordered scattering region Luk Keh
  • Re: [SIESTA-L] TS convergence problems with a disordered scattering region Nick Papior
  • [SIESTA-L] Unsubscription issue N H
  • Re: [SIESTA-L] Unsubscription issue bsathyajit
  • Re: [SIESTA-L] Unsubscription issue N H
• [SIESTA-L] How to extract the force constant after siesta's calculation for thermal conductance calculation by using nonequilibrium Green's method 周本良
  • Re: [SIESTA-L] How to extract the force constant after siesta's calculation for thermal conductance calculation by using nonequilibrium Green's method Andrei Postnikov
  • Re: [SIESTA-L] How to extract the force constant after siesta'scalculation for thermal conductance calculation by using nonequilibriumGreen's method 周本良
  • Re: [SIESTA-L] How to extract the force constant after siesta'scalculation for thermal conductance calculation by using nonequilibriumGreen's method Andrei Postnikov
  • Re: [SIESTA-L] How to extract the force constant aftersiesta'scalculation for thermal conductance calculation by usingnonequilibriumGreen's method 周本良
• [SIESTA-L] Confusion for value of PAO.ENRGYSHIFT for cnt n zgnr RAJAN SINGH
  • Re: [SIESTA-L] Confusion for value of PAO.ENRGYSHIFT for cnt n zgnr Surjeet Chandel
• [SIESTA-L] Confusion for value of pao.basis for cnt n zgnr RAJAN SINGH
• Re: [SIESTA-L] H2S Ground state has imaginary frequencies Andrei Postnikov
  • Re: [SIESTA-L] H2S Ground state has imaginary frequencies Anja Foerster
  • Re: [SIESTA-L] H2S Ground state has imaginary frequencies Andrei Postnikov
  • Re: [SIESTA-L] H2S Ground state has imaginary frequencies Anja Foerster
• [SIESTA-L] Cholesky factorisation in rdiag error due to periodicity Arturo Toro
  • Re: [SIESTA-L] Cholesky factorisation in rdiag error due to periodicity Nick Papior
  • Re: [SIESTA-L] Cholesky factorisation in rdiag error due to periodicity Andrei Postnikov
  • Re: [SIESTA-L] Cholesky factorisation in rdiag error due to periodicity Arturo Toro
• [SIESTA-L] Problem on siesta running on cluster Yangchuan Li
  • Re: [SIESTA-L] Problem on siesta running on cluster Nick Papior
  • Re: [SIESTA-L] Problem on siesta running on cluster Yangchuan Li
  • Re: [SIESTA-L] Problem on siesta running on cluster Nick Papior
  • Re: [SIESTA-L] Problem on siesta running on cluster Yangchuan Li
  • Re: [SIESTA-L] Problem on siesta running on cluster Nick Papior
  • Re: [SIESTA-L] Problem on siesta running on cluster Yangchuan Li
  • Re: [SIESTA-L] Problem on siesta running on cluster Arthur France-Lanord
  • Re: [SIESTA-L] Problem on siesta running on cluster Nick Papior
• [SIESTA-L] Query regarding calculation using hybrid functional Sukanya Ghosh
  • [SIESTA-L] Fwd: Query regarding calculation using hybrid functional Sukanya Ghosh
  • Re: [SIESTA-L] Fwd: Query regarding calculation using hybrid functional Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] Fwd: Query regarding calculation using hybrid functional Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] Fwd: Query regarding calculation using hybrid functional Sukanya Ghosh
• [SIESTA-L] Mixing of the Hamiltonian Arthur France-Lanord
  • Re: [SIESTA-L] Mixing of the Hamiltonian Nick Papior
• [SIESTA-L] VDW Problem in SIESTA Gagandeep kaur
  • Re: [SIESTA-L] VDW Problem in SIESTA Sukanya Ghosh
• [SIESTA-L] Inelastica: PDOS of MPSH states Luk Keh
• [SIESTA-L] Expected output is not written Dan Gil
  • Re: [SIESTA-L] Expected output is not written RCP
• [SIESTA-L] interband or intraband Suman Chowdhury
  • [SIESTA-L] interband or intraband Suman Chowdhury
• [SIESTA-L] Spin-Orbit Abdullahi Lawal
• [SIESTA-L] Errors for the compiling siesta 4.0 田 凡
  • Re: [SIESTA-L] Errors for the compiling siesta 4.0 RCP
• [SIESTA-L] bulk modulus by Postnikov's tool: Murnaghan equation of state fit. Manjeet Bhatia
  • Re: [SIESTA-L] bulk modulus by Postnikov's tool: Murnaghan equation of state fit. Anita Rani

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