siesta-l  

Índice temático

• • Re: [SIESTA-L] Transiesta questions El-abed Haidar
  • Re: [SIESTA-L] Transiesta questions El-abed Haidar
  • Re: [SIESTA-L] Transiesta questions Nick Papior
  • Re: [SIESTA-L] Transiesta questions El-abed Haidar
• [SIESTA-L] error in eigenvalue obtained from MPSH calculation Ankita Joshi
• [SIESTA-L] MPSH state of HOMO and LUMO in the scatttering region Ankita Joshi
• [SIESTA-L] << SIESTA wavefunction -> Multiwfn >> I. Camps
  • Re: [SIESTA-L] << SIESTA wavefunction -> Multiwfn >> Peter Koval
  • Re: [SIESTA-L] << SIESTA wavefunction -> Multiwfn >> I. Camps
  • [SIESTA-L] [***Posible SPAM***]Re: << SIESTA wavefunction -> Multiwfn >> Cina Foroutan-Nejad
  • Re: [SIESTA-L] << SIESTA wavefunction -> Multiwfn >> Peter Koval
• [SIESTA-L] phonon calculations Najmeh Honari
  • Re: [SIESTA-L] phonon calculations T. Liu
  • Re: [SIESTA-L] phonon calculations Najmeh Honari
  • Re: [SIESTA-L] phonon calculations Nick Papior
  • Re: [SIESTA-L] phonon calculations Najmeh Honari
  • Re: [SIESTA-L] phonon calculations RCP
  • Re: [SIESTA-L] phonon calculations Najmeh Honari
• [SIESTA-L] Intel MKL ERROR issue for running parallel siesta Fen Hong
• [SIESTA-L] Issue with installation siesta 4.0 Mirwaiz Rahaman
  • Re: [SIESTA-L] Issue with installation siesta 4.0 Nick Papior
• [SIESTA-L] Error in running grid2cube Ankita Joshi
  • Re: [SIESTA-L] Error in running grid2cube Salvador Barraza-Lopez
  • Re: [SIESTA-L] Error in running grid2cube Andrei Postnikov
  • Re: [SIESTA-L] Error in running grid2cube Nick Papior
  • Re: [SIESTA-L] Error in running grid2cube Ankita Joshi
• [SIESTA-L] Siesta as a package of Anaconda berna uyanık
  • Re: [SIESTA-L] Siesta as a package of Anaconda Peter Koval
  • Re: [SIESTA-L] Siesta as a package of Anaconda Peter Koval
  • Re: [SIESTA-L] Siesta as a package of Anaconda Nick Papior
• [SIESTA-L] TBT.Current.Orb Problem Reese
  • Re: [SIESTA-L] TBT.Current.Orb Problem Nick Papior
• [SIESTA-L] Lowdin charges Marcos Veríssimo Alves
• [SIESTA-L] /obj_setup.sh bug? Alves Perdigao, Luis
  • Re: [SIESTA-L] /obj_setup.sh bug? Nick Papior
  • Re: [SIESTA-L] /obj_setup.sh bug? Mahmood Naderan
  • RE: [SIESTA-L] /obj_setup.sh bug? Alves Perdigao, Luis
• [SIESTA-L] No Makefile for 4.0.2 Mahmood Naderan
  • Re: [SIESTA-L] No Makefile for 4.0.2 Mahmood Naderan
• [SIESTA-L] Electrical Dipole Moment Seyed Mohammad Tabatabaei
  • Re: [SIESTA-L] Electrical Dipole Moment Emilio Artacho
  • Re: [SIESTA-L] Electrical Dipole Moment Seyed Mohammad Tabatabaei
• [SIESTA-L] mpi run issue with 4.0.2 Mahmood Naderan
  • Re: [SIESTA-L] mpi run issue with 4.0.2 RCP
  • Re: [SIESTA-L] mpi run issue with 4.0.2 Mahmood Naderan
• [SIESTA-L] Release of siesta-4.0.2 Nick Papior
  • Re: [SIESTA-L] Release of siesta-4.0.2 berna uyanık
  • Re: [SIESTA-L] Release of siesta-4.0.2 berna uyanık
• [SIESTA-L] mpi_siesta.mod not found while exists Mahmood Naderan
  • Re: [SIESTA-L] mpi_siesta.mod not found while exists Mehdi Shamekhi
  • Re: [SIESTA-L] mpi_siesta.mod not found while exists Mahmood Naderan
  • Re: [SIESTA-L] mpi_siesta.mod not found while exists Mahmood Naderan
  • [SIESTA-L] mpi_siesta.mod not found while exists Mahmood Naderan
  • Re: [SIESTA-L] mpi_siesta.mod not found while exists Nick Papior
• [SIESTA-L] cell vector not converged Sunetra Das
  • Re: [SIESTA-L] cell vector not converged Andrei Postnikov
  • Re: [SIESTA-L] cell vector not converged Najmeh Honari
  • Re: [SIESTA-L] cell vector not converged Andrei Postnikov
  • Re: [SIESTA-L] cell vector not converged Najmeh Honari
  • Re: [SIESTA-L] cell vector not converged sauluck
• [SIESTA-L] Virtual Crystal Approximation and Ghost States D. Bennett
• [SIESTA-L] OPTIMIZATION(ZnO) Dinesh Thapa
  • Re: [SIESTA-L] OPTIMIZATION(ZnO) Mehdi Shamekhi
  • Re: [SIESTA-L] OPTIMIZATION(ZnO) Dinesh Thapa
  • Re: [SIESTA-L] OPTIMIZATION(ZnO) Sonu Kumar
  • Re[2]: [SIESTA-L] OPTIMIZATION(ZnO) Mehdi Shamekhi
• [SIESTA-L] molecular dynamics (AIMD) calculations Najmeh Honari
  • Re: [SIESTA-L] molecular dynamics (AIMD) calculations sullah
  • Re: [SIESTA-L] molecular dynamics (AIMD) calculations Alberto Garcia
  • Re: [SIESTA-L] molecular dynamics (AIMD) calculations sullah
  • Re: [SIESTA-L] molecular dynamics (AIMD) calculations Alberto Garcia
• [SIESTA-L] Translation of PSML to psf format? Marcos Veríssimo Alves
• [SIESTA-L] What Program can Read the File.LDOS? ??????
  • Re: [SIESTA-L] What Program can Read the File.LDOS? sullah
  • Re: [SIESTA-L] What Program can Read the File.LDOS? Patrick Lee
  • Re: [SIESTA-L] What Program can Read the File.LDOS? sullah
• [SIESTA-L] Properly do BAND STRUCTURE study using SIESTA El-abed Haidar
  • Re: [SIESTA-L] Properly do BAND STRUCTURE study using SIESTA sullah
• [SIESTA-L] Calculating cohesive energy in the fastest but most efficient manner? El-abed Haidar
  • Re: [SIESTA-L] Calculating cohesive energy in the fastest but most efficient manner? Nick Papior
  • Re: [SIESTA-L] Calculating cohesive energy in the fastest but most efficient manner? El-abed Haidar
• [SIESTA-L] Energy minimization and displacement Harsh Shah
  • Re: [SIESTA-L] Energy minimization and displacement Mehdi Shamekhi
  • Re: [SIESTA-L] Energy minimization and displacement Harsh Shah
  • Re[2]: [SIESTA-L] Energy minimization and displacement Mehdi Shamekhi
  • Re: [SIESTA-L] Energy minimization and displacement Harsh Shah
  • Re: [SIESTA-L] Energy minimization and displacement Nick Papior
  • Re[2]: [SIESTA-L] Energy minimization and displacement Mehdi Shamekhi
• [SIESTA-L] optimization Sunetra Das
  • Re: [SIESTA-L] optimization Sunetra Das
  • Re: [SIESTA-L] optimization sullah
  • Re: [SIESTA-L] optimization sullah
  • Re: [SIESTA-L] optimization Sunetra Das
  • Re: [SIESTA-L] optimization sullah
  • Re: [SIESTA-L] optimization Sunetra Das
  • Re: [SIESTA-L] optimization Sunetra Das
  • Re: [SIESTA-L] optimization sullah
• [SIESTA-L] Workshop in TBtrans + TranSiesta + sisl, Nov. 20-23 - 2018 @ DTU Nanotech Nick Papior
• [SIESTA-L] running steps fatemeh
  • Re: [SIESTA-L] running steps fatemeh
  • Re: [SIESTA-L] running steps Nibras Mossa
  • Re: [SIESTA-L] running steps berna uyanık
  • Re: [SIESTA-L] running steps Paulo André de Morais
  • Re: [SIESTA-L] running steps bakerbassel
• [SIESTA-L] new version fatemeh ghorbani
  • Re: [SIESTA-L] new version berna uyanık
  • Re: [SIESTA-L] new version fatemeh ghorbani
  • Re: [SIESTA-L] new version Nick Papior
  • Re: [SIESTA-L] new version fatemeh ghorbani
• Re: [SIESTA-L] Issues with pDOS in SIESTA Nick Papior
  • Re: [SIESTA-L] Issues with pDOS in SIESTA El-abed Haidar
  • Re: [SIESTA-L] Issues with pDOS in SIESTA sullah
• [SIESTA-L] Band structure (Silver) Dinesh Thapa
  • Re: [SIESTA-L] Band structure (Silver) Nick Papior
  • Re: [SIESTA-L] Band structure (Silver) Dinesh Thapa
  • Re[2]: [SIESTA-L] Band structure (Silver) Mehdi Shamekhi
• [SIESTA-L] Error while running make Bassel Baker
  • Re: [SIESTA-L] Error while running make Mehdi Shamekhi
  • Re: [SIESTA-L] Error while running make bakerbassel
• [SIESTA-L] Error while running make Bassel Baker
  • RE: [SIESTA-L] Error while running make Dr. Mohan L. Verma
  • RE: [SIESTA-L] Error while running make bakerbassel
• [SIESTA-L] Warning in Siesta 4.1-b3 ("connected supercells may have changed") Marcos Veríssimo Alves
  • Re: [SIESTA-L] Warning in Siesta 4.1-b3 ("connected supercells may have changed") Mehdi Shamekhi
• [SIESTA-L] Should spin-polarized calculations be done for DFT investigations of a slab? Nadia Salami
• [SIESTA-L] forrtl: severe (66) error mohadeseh mehmandoost
• [SIESTA-L] << plugin for Notepad++ >> I. Camps
• [SIESTA-L] file running for long time without error Harsh Shah
  • Re: [SIESTA-L] file running for long time without error Mehdi Shamekhi
  • Re: [SIESTA-L] file running for long time without error Harsh Shah
  • Re[2]: [SIESTA-L] file running for long time without error Mehdi Shamekhi
  • Re: [SIESTA-L] file running for long time without error Ali Roohforouz
  • Re[2]: [SIESTA-L] file running for long time without error Mehdi Shamekhi
  • Re: [SIESTA-L] file running for long time without error Harsh Shah
  • Re: [SIESTA-L] file running for long time without error berna uyanık
  • Re: [SIESTA-L] file running for long time without error berna uyanık
• [SIESTA-L] SIESTA question at the beginning of the fdf run El-abed Haidar
  • Re: [SIESTA-L] SIESTA question at the beginning of the fdf run Mehdi Shamekhi
  • Re: [SIESTA-L] SIESTA question at the beginning of the fdf run El-abed Haidar
  • Re: [SIESTA-L] SIESTA question aha102
• [SIESTA-L] Question about 'Macroave' Patrick Lee
• [SIESTA-L] gga pseudopotentials Sunetra Das
• [SIESTA-L] non metallic electrodes Zara Nosh
• [SIESTA-L] Question about output of total spin in spin-orbit calculation Marcos Veríssimo Alves
  • Re: [SIESTA-L] Question about output of total spin in spin-orbit calculation sauluck
  • Re: [SIESTA-L] Question about output of total spin in spin-orbit calculation Marcos Veríssimo Alves
• [SIESTA-L] Macroave Seyed Mohammad Tabatabaei
• [SIESTA-L] Macroave for nonorthorhombic supercells Seyed Mohammad Tabatabaei
• [SIESTA-L] Vdw pseudopotential Azadeh Ayatollahie
  • Re: [SIESTA-L] Vdw pseudopotential berna uyanık
• [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Bibhas Manna
  • Re: [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Nick Papior
  • Re: [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Leonardo Fonseca
  • Re: [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Bibhas Manna
  • Re: [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Bibhas Manna
• [SIESTA-L] Theory aha102
• [SIESTA-L] PIEZOELECTRIC behavior Suman Chowdhury
• [SIESTA-L] Spin polarized wavefunctions with denchar Jens Hertkorn
  • Re: [SIESTA-L] Spin polarized wavefunctions with denchar Nick Papior
• [SIESTA-L] transport for 2D materials Zara Nosh
  • Re: [SIESTA-L] transport for 2D materials Nick Papior
  • Re: [SIESTA-L] transport for 2D materials Zara Nosh
  • Re: [SIESTA-L] transport for 2D materials Nick Papior
  • Re: [SIESTA-L] transport for 2D materials Zara Nosh
  • Re: [SIESTA-L] transport for 2D materials Salvador Barraza-Lopez
  • Re: [SIESTA-L] transport for 2D materials Salvador Barraza-Lopez
  • Re: [SIESTA-L] transport for 2D materials berna uyanık
• [SIESTA-L] optimisation monoclinic to orthorhombic T. Liu
  • Re: [SIESTA-L] optimisation monoclinic to orthorhombic Leonardo Fonseca
  • Re: [SIESTA-L] optimisation monoclinic to orthorhombic Salvador Barraza-Lopez
  • Re: [SIESTA-L] optimisation monoclinic to orthorhombic T. Liu
• [SIESTA-L] accuracy of current in transiesta calculations Zara Nosh
  • Re: [SIESTA-L] accuracy of current in transiesta calculations Nick Papior
• [SIESTA-L] eig2bxsf code error Sunetra Das
• [SIESTA-L] questions about scale factor for basis set in Siesta Hou, Songjun
• [SIESTA-L] Spin polarised band structure Sunetra Das
  • Re: [SIESTA-L] Spin polarised band structure sullah
  • Re: [SIESTA-L] Spin polarised band structure I. Camps
  • Re: [SIESTA-L] Spin polarised band structure Nick Papior
  • Re: [SIESTA-L] Spin polarised band structure Sunetra Das
  • Re: [SIESTA-L] Spin polarised band structure Nick Papior
  • Re: [SIESTA-L] Spin polarised band structure Sunetra Das
  • Re: [SIESTA-L] Spin polarised band structure Zeila Zanolli
• [SIESTA-L] voltage drop behavior Zara Nosh
  • Re: [SIESTA-L] voltage drop behavior Nick Papior
• [SIESTA-L] Unfolding the supercell band structure MB MB
• [SIESTA-L] MATEL: NQ too small for required cutoff. 王亮
  • Re: [SIESTA-L] MATEL: NQ too small for required cutoff. Nick Papior
  • Re: [SIESTA-L] MATEL: NQ too small for required cutoff. 王亮
  • Re: [SIESTA-L] MATEL: NQ too small for required cutoff. 王亮
  • Re: [SIESTA-L] MATEL: NQ too small for required cutoff. Peter Koval
• [SIESTA-L] Zval ERROR 王亮
  • Re: [SIESTA-L] Zval ERROR 王亮
• [SIESTA-L] .out (local pseudopotencial value) laura.o.vendrame
• [SIESTA-L] Eig2DOS: problems with format in ioeig.f in SIESTA tkos
  • Re: [SIESTA-L] Eig2DOS: problems with format in ioeig.f in SIESTA Nick Papior
• [SIESTA-L] Approximation van der Waals Mahbubeh Amiri
• [SIESTA-L] DFT+1/2 berna uyanık
  • Re: [SIESTA-L] DFT+1/2 Nick Papior
  • Re: [SIESTA-L] DFT+1/2 berna uyanık

• Mensagens anteriores
• Mensagens posteriores