siesta-l  

Índice temático

• • 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
  • Re: [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. Andrei Postnikov
  • Re: [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. Andrei Postnikov
  • Re: [SIESTA-L] bulk modulus by Postnikov's tool: Murnaghan equation of state fit. Manjeet Bhatia
• [SIESTA-L] phase transition Максим Арсентьев
• [SIESTA-L] unable to generate .band file amrish sharma
  • Re: [SIESTA-L] unable to generate .band file Monica Garcia
  • Re: [SIESTA-L] unable to generate .band file amrish sharma
  • Re: [SIESTA-L] unable to generate .band file Javier Junquera
  • Re: [SIESTA-L] unable to generate .band file Monica Garcia
• [SIESTA-L] Error in Cholesky factorisation amrish sharma
  • Re: [SIESTA-L] Error in Cholesky factorisation Nick Papior
  • Re: [SIESTA-L] Error in Cholesky factorisation amrish sharma
• [SIESTA-L] band structure amrish sharma
  • Re: [SIESTA-L] band structure Nick Papior
  • Re: [SIESTA-L] band structure amrish sharma
  • Re: [SIESTA-L] band structure I. Camps
  • [SIESTA-L] Band structure Dinesh Thapa
  • Re: [SIESTA-L] Band structure Kamaraj M
• [SIESTA-L] Wrong Species Error Arturo Toro
  • Re: [SIESTA-L] Wrong Species Error Nick Papior
  • Re: [SIESTA-L] Wrong Species Error RCP
  • Re: [SIESTA-L] Wrong Species Error Nick Papior
  • Re: [SIESTA-L] Wrong Species Error RCP
  • Re: [SIESTA-L] Wrong Species Error Arturo Toro
• [SIESTA-L] phonon transport Xiaoming Wang
  • Re: [SIESTA-L] phonon transport Nick Papior
• [SIESTA-L] deal with the .RHO file of siesta ????
  • [SIESTA-L] deal with the .RHO file of siesta ????
  • Re: [SIESTA-L] deal with the .RHO file of siesta Andrei Postnikov
• [SIESTA-L] Units of position, mass, force, time, and velocity Francisco Garcia
  • Re: [SIESTA-L] Units of position, mass, force, time, and velocity Monica Garcia
• [SIESTA-L] << MaxSCFIterations vs ON.MaxNumIter >> I. Camps
• [SIESTA-L] Regarding download psedopotentials Riya Rogers
  • Re: [SIESTA-L] Regarding download psedopotentials I. Camps
• [SIESTA-L] How to include vdW interactions? Seyed Mohammad Tabatabaei
  • [SIESTA-L] How to include vdW interactions? Seyed Mohammad Tabatabaei
• [SIESTA-L] phase transitions via ab initio molecular dynamics Максим Арсентьев
• [SIESTA-L] Regarding Hybrid functional sanjaynayak
• [SIESTA-L] Problem with Bulk Au Salvador Cardona Serra
• Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations Peter Koval
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations I. Camps
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations I. Camps
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations Anita Rani
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations gagandeep Kaur
  • Re: [SIESTA-L] A note of warning regarding pseudopotentials for vdW-DFT calculations ticucubot
• [SIESTA-L] Regarding inclusion of dipole correction and vdW terms, correction of the BSSE Gagandeep kaur
• [SIESTA-L] VDW Calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] VDW Calculations gagandeep Kaur
  • Re: [SIESTA-L] VDW Calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] VDW Calculations gagandeep Kaur
  • Re: [SIESTA-L] VDW Calculations Riya Rogers
  • Re: [SIESTA-L] VDW Calculations Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] VDW Calculations Riya Rogers
  • Re: [SIESTA-L] VDW Calculations Gagandeep kaur
  • Re: [SIESTA-L] VDW Calculations I. Camps
  • Re: [SIESTA-L] VDW Calculations Riya Rogers
  • Re: [SIESTA-L] VDW Calculations I. Camps
  • Re: [SIESTA-L] VDW Calculations gagandeep Kaur
  • Re: [SIESTA-L] VDW Calculations Riya Rogers
  • [SIESTA-L] vdw calculations amrish sharma
• [SIESTA-L] Question: Proper SolutionMethod for relaxing large systems Bahareh Fakhraei
  • Re: [SIESTA-L] Question: Proper SolutionMethod for relaxing large systems RCP
  • Re: [SIESTA-L] Question: Proper SolutionMethod for relaxing large systems Andrei Postnikov
  • Re: [SIESTA-L] Question: Proper SolutionMethod for relaxing large systems Bahareh Fakhraei
  • Re: [SIESTA-L] Question: Proper SolutionMethod for relaxing large systems Andrei Postnikov
  • Re: [SIESTA-L] Question: Proper SolutionMethod for relaxing large systems Bahareh Fakhraei
• [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Luk Keh
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Aaron
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA anita dameh
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Nick Papior
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA anita dameh
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Nick Papior
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Luk Keh
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Aaron
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Luk Keh
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Aaron
  • Re: [SIESTA-L] How to get specific PDOS contributions in TranSIESTA Aaron
• [SIESTA-L] A working procedure for building Siesta-3.2 in parallel (MPI version) Mahmood Naderan
• [SIESTA-L] Band structure for doped ZGNR maryam jamaati
  • Re: [SIESTA-L] Band structure for doped ZGNR Riya Rogers
  • Re: [SIESTA-L] Band structure for doped ZGNR I. Camps
  • Re: [SIESTA-L] Band structure for doped ZGNR Riya Rogers
  • Re: [SIESTA-L] Band structure for doped ZGNR Максим Арсентьев
  • Re: [SIESTA-L] Band structure for doped ZGNR RAJAN SINGH
  • Re: [SIESTA-L] Band structure for doped ZGNR I. Camps
  • Re: [SIESTA-L] Band structure for doped ZGNR Riya Rogers
  • Re: [SIESTA-L] Band structure for doped ZGNR Максим Арсентьев
  • Re: [SIESTA-L] Band structure for doped ZGNR I. Camps
  • Re: [SIESTA-L] Band structure for doped ZGNR I. Camps
  • Re: [SIESTA-L] Band structure for doped ZGNR maryam jamaati
• [SIESTA-L] Vibra doesn't work for large supercell T. Liu
  • Re: [SIESTA-L] Vibra doesn't work for large supercell T. Liu
  • Re: [SIESTA-L] Vibra doesn't work for large supercell T. Liu
• [SIESTA-L] supercell T. Liu
  • Re: [SIESTA-L] supercell Nick Papior
  • Re: [SIESTA-L] supercell T. Liu
  • [SIESTA-L] Supercell berna uyanık
  • Re: [SIESTA-L] Supercell I. Camps
• [SIESTA-L] Large spikes in pressure (and atomic forces during MD) Francisco Garcia
• Re: [SIESTA-L] graphene Andrei Postnikov
  • Re: [SIESTA-L] graphene Zahra Talebi
  • Re: [SIESTA-L] graphene Andrei Postnikov
• [SIESTA-L] Problems of the way to get the result of PDOS ??????????
  • Re: [SIESTA-L] Problems of the way to get the result of PDOS Максим Арсентьев
• [SIESTA-L] Problem in COOP Gagandeep kaur
• [SIESTA-L] siesta trunk compilation amrish sharma
• [SIESTA-L] fdf parameters Andrei Postnikov
  • Re: [SIESTA-L] fdf parameters amrish sharma
• [SIESTA-L] vander wall potential amrish sharma
  • Re: [SIESTA-L] vander wall potential Arthur France-Lanord
  • Re: [SIESTA-L] vander wall potential Carlos Sanz
• [SIESTA-L] fdf parameters amrish sharma
• [SIESTA-L] problem in getting ..HSX and .WFSX files with COOP Gagandeep kaur
• [SIESTA-L] script for energy vs lattice constant convergence. Mayuri Vaghela
  • Re: [SIESTA-L] script for energy vs lattice constant convergence. Rafi Ullah
  • Re: [SIESTA-L] script for energy vs lattice constant convergence. Javier Junquera
  • Re: [SIESTA-L] script for energy vs lattice constant convergence. Mayuri Vaghela
  • Re: [SIESTA-L] script for energy vs lattice constant convergence. I. Camps
  • Re: [SIESTA-L] script for energy vs lattice constant convergence. Mayuri Vaghela
  • Re: [SIESTA-L] script for energy vs lattice constant convergence. Andrei Postnikov
• Re: [SIESTA-L] Problem with Calculation of Band Structure Nick Papior
  • Re: [SIESTA-L] Problem with Calculation of Band Structure maryam jamaati
  • Re: [SIESTA-L] Problem with Calculation of Band Structure Zahra Talebi
  • Re: [SIESTA-L] Problem with Calculation of Band Structure Mahmoud Hammouri
• [SIESTA-L] How to tilt electrode in transiesta Yangchuan Li
  • Re: [SIESTA-L] How to tilt electrode in transiesta Nick Papior
• [SIESTA-L] Choice of r_c values in pseudopotentials with atomic orbitals Tristan Truttmann
  • Re: [SIESTA-L] Choice of r_c values in pseudopotentials with atomic orbitals RCP
• [SIESTA-L] Restricted and unrestricted dft calculations using siesta Riya Rogers
  • Re: [SIESTA-L] Restricted and unrestricted dft calculations using siesta [email protected]
• [SIESTA-L] Geomtry Optimization and system Hassan Ghazi asadi
• [SIESTA-L] Geometry optimization and system rghaziasadi
• [SIESTA-L] PDOS Anju Saroha
  • [SIESTA-L] PDOS Anju Saroha
  • Re: [SIESTA-L] PDOS leoqmc .
  • Re: [SIESTA-L] PDOS Anju Saroha
  • Re: [SIESTA-L] PDOS Javier Junquera
  • Re: [SIESTA-L] PDOS Anju Saroha
• [SIESTA-L] Parallel siesta using openmpi 1.10.3 Arthur France-Lanord
  • Re: [SIESTA-L] Parallel siesta using openmpi 1.10.3 Nick Papior
  • Re: [SIESTA-L] Parallel siesta using openmpi 1.10.3 Arthur France-Lanord
• [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time zeynab mohamad hoseyni
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time Carlos Sanz
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time zeynab mohamad hoseyni
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time Nick Papior
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time zeynab mohamad hoseyni
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time Carlos Sanz
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time Carlos Sanz
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time bsathyajit
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time Nick Papior
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time zeynab mohamad hoseyni
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time Nick Papior
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time zeynab mohamad hoseyni
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time Carlos Sanz
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time zeynab mohamad hoseyni
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time zeynab mohamad hoseyni
  • Re: [SIESTA-L] Continuing a job from previous run stopped due to lack of wall-time Nick Papior
• [SIESTA-L] Release of Siesta-4.0 Alberto Garcia
• [SIESTA-L] Restarting a TranSiesta job from previous run zeynab mohamad hoseyni
• [SIESTA-L] GGA pseudopotential non local Soumaia Djaadi
• [SIESTA-L] H-bonding in DFT ZARA NBSH
  • Re: [SIESTA-L] H-bonding in DFT N H
  • Re: [SIESTA-L] H-bonding in DFT Emilio Artacho
  • Re: [SIESTA-L] H-bonding in DFT Mayuri Vaghela
• [SIESTA-L] COMPILATION ERROR Anju Saroha
  • Re: [SIESTA-L] Siesta 4.0 manual Jingxian Yu
  • Re: [SIESTA-L] COMPILATION ERROR Nick Papior
  • Re: [SIESTA-L] COMPILATION ERROR Anju Saroha
  • Re: [SIESTA-L] COMPILATION ERROR Nick Papior
  • Re: [SIESTA-L] COMPILATION ERROR Anju Saroha
  • Re: [SIESTA-L] COMPILATION ERROR Anju Saroha

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