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• • Re: [SIESTA-L] Can anyone solve the problem on downloading SIESTA? Eduardo Anglada
• [SIESTA-L] Question about finding barrier height Kamaram Munira
  • Re: [SIESTA-L] Question about finding barrier height Eduardo Anglada
• [SIESTA-L] eig2dos error zhiyong wang
  • Re: [SIESTA-L] eig2dos error Javad Hashemi
  • Re: [SIESTA-L] eig2dos error zhiyong wang
  • Re: [SIESTA-L] eig2dos error zhiyong wang
  • Re: [SIESTA-L] eig2dos error Javad Hashemi
• [SIESTA-L] As pseudo GGA Giacomo Giorgi
  • Re: [SIESTA-L] As pseudo GGA Oleksandr Voznyy
  • Re: [SIESTA-L] As pseudo GGA Giacomo Giorgi
• [SIESTA-L] Queries about reliability of SIESTA under LDA Nidhi Sharma
  • Re: [SIESTA-L] Queries about reliability of SIESTA under LDA Eduardo Anglada
  • Re: [SIESTA-L] Queries about reliability of SIESTA under LDA Sushil Auluck
• [SIESTA-L] mpi error with siesta 2.0.x using intel compilers on infiniband M Bharat Kumar
  • Re: [SIESTA-L] mpi error with siesta 2.0.x using intel compilers on infiniband Eduardo Anglada
  • Re: [SIESTA-L] mpi error with siesta 2.0.x using intel compilers oninfiniband Bharat
  • Re: [SIESTA-L] mpi error with siesta 2.0.x using intel compilers oninfiniband Eduardo Anglada
• [SIESTA-L] Problem on downloading SIESTA!! Adrain Zhou
  • Re: [SIESTA-L] Problem on downloading SIESTA!! Marcel Mohr
• [SIESTA-L] Problems with frequencies calculation IK. ortega
  • Re: [SIESTA-L] Problems with frequencies calculation zubaer
  • Re: [SIESTA-L] Problems with frequencies calculation IK. ortega
  • Re: [SIESTA-L] Problems with frequencies calculation Oleksandr Voznyy
  • Re: [SIESTA-L] Problems with frequencies calculation IK. ortega
• [SIESTA-L] ask for help about the rho2xsf zhiyong wang
  • Re: [SIESTA-L] ask for help about the rho2xsf Oleksandr Voznyy
• [SIESTA-L] about the compiling of Plrho zhiyong wang
  • Re: [SIESTA-L] about the compiling of Plrho Sushil Auluck
  • Re: [SIESTA-L] Murnaeghan’ EOS for noncubic structure Michael Shin
  • Re: [SIESTA-L] about the compiling of Plrho zhiyong wang
  • Re: [SIESTA-L] about the compiling of Plrho zhiyong wang
  • Re: [SIESTA-L] about the compiling of Plrho Sushil Auluck
  • Re: [SIESTA-L] about the compiling of Plrho zhiyong wang
  • Re: [SIESTA-L] about the compiling of Plrho Sushil Auluck
  • Re: [SIESTA-L] about the compiling of Plrho zhiyong wang
• [SIESTA-L] simulation of metal alloy liquid Chol-Jun Yu
  • Re: [SIESTA-L] simulation of metal alloy liquid Eduardo Anglada
• [SIESTA-L] How to get Raman spectra? Arun Kumar Manna
• [SIESTA-L] Problem with optimization using variable cell] Arun Kumar Manna
  • Re: [SIESTA-L] Problem with optimization using variable cell] Eduardo Anglada
  • Re: [SIESTA-L] Problem with optimization using variable cell] Arun Kumar Manna
• [SIESTA-L] Segmentation fault with Vibrator Utility Abraham Hmiel
  • Re: [SIESTA-L] Segmentation fault with Vibrator Utility Anatoli Korkin
  • [SIESTA-L] Segmentation Fault with Vibrator Utility Abraham Hmiel
  • Re: [SIESTA-L] Segmentation Fault with Vibrator Utility Derek A. Stewart
• [SIESTA-L] Optimised basis Ian Shuttleworth
  • Re: [SIESTA-L] Optimised basis Oleksandr Voznyy
  • Re: [SIESTA-L] Optimised basis Ian Shuttleworth
• [SIESTA-L] About the 31 (chiral) graphene zhiyong wang
• [SIESTA-L] results in orthorombic SrRuO3 bipul rakshit
• [SIESTA-L] Blue Gene arch.make Eleftherios Gdoutos
  • Re: [SIESTA-L] Blue Gene arch.make Eduardo Anglada
• [SIESTA-L] Indium nitride Basis set? antonio aliano
  • Re: [SIESTA-L] Indium nitride Basis set? Marcos Verissimo Alves
  • Re: [SIESTA-L] Indium nitride Basis set? antonio aliano
  • Re: [SIESTA-L] Indium nitride Basis set? Pablo
  • Re: [SIESTA-L] Indium nitride Basis set? Oleksandr Voznyy
• [SIESTA-L] DENCHAR Output Edward Smith
  • Re: [SIESTA-L] DENCHAR Output apostnik
• [SIESTA-L] Academic License Iyad Hijazi
• [SIESTA-L] Ni LDA pseudo Kamaram Munira
• [SIESTA-L] Reading the density matrix file Ricardo Wagner Nunes
  • Re: [SIESTA-L] Reading the density matrix file Noah, Meg A
  • Re: [SIESTA-L] Reading the density matrix file Marcos Verissimo Alves
  • Re: [SIESTA-L] Reading the density matrix file Ricardo Wagner Nunes
  • Re: [SIESTA-L] Reading the density matrix file Ricardo Wagner Nunes
  • [SIESTA-L] Reading the density matrix file Ricardo Wagner Nunes
  • Re: [SIESTA-L] Reading the density matrix file Noah, Meg A
  • Re: [SIESTA-L] Reading the density matrix file Ricardo Wagner Nunes
• [SIESTA-L] Re : Strange mpi problem karim rezouali
• [SIESTA-L] Strange mpi problem Lakee Johnson
  • Re: [SIESTA-L] Strange mpi problem N H
  • [SIESTA-L] Strange mpi problem karim rezouali
  • Re: [SIESTA-L] Strange mpi problem Thomas Sadowski
  • [SIESTA-L] Error in siesta compilation Marcos Verissimo Alves
  • [SIESTA-L] Follow-up: Error in siesta compilation Marcos Verissimo Alves
  • Re: [SIESTA-L] Follow-up: Error in siesta compilation Eduardo Anglada
  • Re: [SIESTA-L] Error in siesta compilation shanghui
  • Re: [SIESTA-L] Strange mpi problem Lakee Johnson
  • Re: [SIESTA-L] Strange mpi problem Thomas Sadowski
  • Re: [SIESTA-L] Strange mpi problem Lakee Johnson
  • Re: [SIESTA-L] Strange mpi problem Thomas Sadowski
  • Re: [SIESTA-L] Strange mpi problem Lakee Johnson
  • Re: [SIESTA-L] Strange mpi problem Sushil Auluck
  • Re: [SIESTA-L] Strange mpi problem bipul rakshit
  • Re: [SIESTA-L] Strange mpi problem Thomas Sadowski
  • Re: [SIESTA-L] Strange mpi problem Eduardo Anglada
• Re: [SIESTA-L] Force, Stress of Relaxed Structure Noah, Meg A
• [SIESTA-L] ZnO Cherry Y. Yates
• [SIESTA-L] system type Cherry Y. Yates
• [SIESTA-L] Lattice constant for Si diamond structure differs much from literaturevalue Stefan Leiding
  • Re: [SIESTA-L] Lattice constant for Si diamond structure differs much from literaturevalue Marcos Verissimo Alves
  • Re: [SIESTA-L] Lattice constant for Si diamond structure differs much from literaturevalue Pablo A. Denis
• [SIESTA-L] Help with compilation error Thomas Sadowski
  • Re: [SIESTA-L] Help with compilation error Eduardo Anglada
• [SIESTA-L] Magnetic properties using siesta Nidhi Sharma
  • Re: [SIESTA-L] Magnetic properties using siesta Ricardo Faccio
  • Re: [SIESTA-L] Magnetic properties using siesta Nidhi Sharma
• [SIESTA-L] semicore PP for elements with filled f orbital e.g Hf+2 eb na
  • Re: [SIESTA-L] semicore PP for elements with filled f orbital e.g Hf+2 apostnik
• [SIESTA-L] Vacancy formation energy Roberto Veiga
  • Re: [SIESTA-L] Vacancy formation energy Pablo A. Denis
  • Re: [SIESTA-L] Vacancy formation energy Marcos Verissimo Alves
  • Re: [SIESTA-L] Vacancy formation energy R.C.Pasianot
  • Re: [SIESTA-L] Vacancy formation energy Roberto Veiga
  • Re: [SIESTA-L] Vacancy formation energy Pablo A. Denis
  • [SIESTA-L] Calcualtion of entropy Subhra Kulshrestha
  • Re: [SIESTA-L] Vacancy formation energy Roberto Veiga
  • Re: [SIESTA-L] Vacancy formation energy Oleksandr Voznyy
  • Re: [SIESTA-L] Vacancy formation energy Pablo A. Denis
  • Re: [SIESTA-L] Vacancy formation energy Roberto Veiga
  • Re: [SIESTA-L] Vacancy formation energy Roberto Veiga
  • Re: [SIESTA-L] Vacancy formation energy Xavier Cartoixa Soler
  • Re: [SIESTA-L] Vacancy formation energy R.C.Pasianot
• Re: [SIESTA-L] Ghost atom for vacancy? Noah, Meg A
  • Re: [SIESTA-L] Ghost atom for vacancy? Oleksandr Voznyy
  • Re: [SIESTA-L] Ghost atom for vacancy? Noah, Meg A
  • Re: [SIESTA-L] Ghost atom for vacancy? Oleksandr Voznyy
• [SIESTA-L] Hybrid functional calcualtion Adrain Zhou
  • Re: [SIESTA-L] Hybrid functional calcualtion Eduardo Anglada
• [SIESTA-L] Comparing energy outputs between siesta and gaussian Russell, John Thomas
  • Re: [SIESTA-L] Comparing energy outputs between siesta and gaussian Yurko Natanzon
  • Re: [SIESTA-L] Comparing energy outputs between siesta and gaussian Felipe Bulat
  • Re: [SIESTA-L] Comparing energy outputs between siesta and gaussian Oleksandr Voznyy
  • Re: [SIESTA-L] Comparing energy outputs between siesta andgaussian Dr. Felipe A. Bulat
• [SIESTA-L] comparing energy outputs between siesta and gaussian Russell, John Thomas
• [SIESTA-L] PP generation eb na
• [SIESTA-L] rcond too small eb na
• [SIESTA-L] problem in downloading siesta-2.0.1 bipul rakshit
• [SIESTA-L] Expert in DFT at University of Toronto Thomas Sadowski
• [SIESTA-L] Force constant matrix for 1D chain error Abraham Hmiel
  • Re: [SIESTA-L] Force constant matrix for 1D chain error Derek A. Stewart
• [SIESTA-L] Work function of Si zubaer
  • Re: [SIESTA-L] Work function of Si Eduardo Anglada
  • Re: [SIESTA-L] Work function of Si zubaer
  • Re: [SIESTA-L] Work function of Si Javier Junquera
  • Re: [SIESTA-L] Work function of Si Junquera Quintana, Francisco Javier
• [SIESTA-L] Ag pseudopotential Tafoughalt Mohand Akli
  • Re: [SIESTA-L] Ag pseudopotential Eduardo Anglada
  • Re: [SIESTA-L] Ag pseudopotential Roberto Veiga
  • Re: [SIESTA-L] Ag pseudopotential Eduardo Anglada
• [SIESTA-L] Electric field Luis Agapito
  • Re: [SIESTA-L] Electric field Eduardo Anglada
  • Re: [SIESTA-L] Electric field Luis Agapito
  • Re: [SIESTA-L] Electric field Eduardo Anglada
• [SIESTA-L] Failure to converge standard eigenproblem Roberto Veiga
  • Re: [SIESTA-L] Failure to converge standard eigenproblem Alexandre Lebon
  • Re: [SIESTA-L] Failure to converge standard eigenproblem Eduardo Anglada
  • [SIESTA-L] Failure to converge standard eigenproblem Roberto Veiga
  • Re: [SIESTA-L] Failure to converge standard eigenproblem Roberto Veiga
• [SIESTA-L] inhomogenous k-mesh Zeila Zanolli
• [SIESTA-L] External B fiel Ricardo Faccio
• [SIESTA-L] Darwin shift zubaer
• [SIESTA-L] (pas de sujet) jacky even
• [SIESTA-L] Parallel SIESTA on Itanium 2 Thomas Sadowski
• [SIESTA-L] HOW TO INCREASEBAND GAP Sonia Mehra
  • Re: [SIESTA-L] HOW TO INCREASEBAND GAP Noah, Meg A
  • Re: [SIESTA-L] HOW TO INCREASEBAND GAP N H
  • Re: [SIESTA-L] HOW TO INCREASEBAND GAP Noah, Meg A
  • Re: [SIESTA-L] HOW TO INCREASEBAND GAP N H
• [SIESTA-L] Parallel SIESTA 2.0 on Power Architecture Thomas Sadowski
  • Re: [SIESTA-L] Parallel SIESTA 2.0 on Power Architecture David Strubbe
• [SIESTA-L] scf not converge in Phonon calculation of platinum nitride bipul rakshit
• [SIESTA-L] Phonon calculation of Pyrite PtN2 bipul rakshit
• [SIESTA-L] Memory problem when running Siesta in parallel Kamaram Munira
  • Re: [SIESTA-L] Memory problem when running Siesta in parallel Marcos Verissimo Alves
  • Re: [SIESTA-L] Memory problem when running Siesta in parallel Eduardo Anglada
  • Re: [SIESTA-L] Memory problem when running Siesta in parallel Eduardo Anglada
• [SIESTA-L] Parallel run error Kamaram Munira
• [SIESTA-L] Basis for Fe Roberto Veiga
  • Re: [SIESTA-L] Basis for Fe Jaime Ferrer
  • [SIESTA-L] Clustered eigenvalues not converged - more memory required Derek A. Stewart
  • Re: [SIESTA-L] Clustered eigenvalues not converged - more memory required Marcos Verissimo Alves
  • Re: [SIESTA-L] Clustered eigenvalues not converged - more memory required Derek A. Stewart
  • Re: [SIESTA-L] Clustered eigenvalues not converged - more memory required Marcos Verissimo Alves
  • [SIESTA-L] Follow up: [SIESTA-L] Clustered eigenvalues not converged - more memory required Derek A. Stewart
• [SIESTA-L] Error while running siesta in Parallel Kamaram Munira
• [SIESTA-L] rgarding Bulkmodulus Sonia Mehra
  • Re: [SIESTA-L] rgarding Bulkmodulus Sushil Auluck
  • Re: [SIESTA-L] rgarding Bulkmodulus Yurko Natanzon
  • Re: [SIESTA-L] rgarding Bulkmodulus Sonia Mehra
  • Re: [SIESTA-L] rgarding Bulkmodulus Sushil Auluck
  • Re: [SIESTA-L] rgarding Bulkmodulus Sonia Mehra
  • Re: [SIESTA-L] rgarding Bulkmodulus Sushil Auluck
  • Re: [SIESTA-L] rgarding Bulkmodulus Sonia Mehra
  • Re: [SIESTA-L] rgarding Bulkmodulus Sushil Auluck
• Re: [SIESTA-L] regarding error Sushil Auluck
  • Re: [SIESTA-L] regarding error Sonia Mehra
• [SIESTA-L] Plotting band dispersion as surfaces for 2D structures Vasilii Artyukhov
• [SIESTA-L] Fwd: How to optimise an ortho-rhombic crystal structure. Bipul Rakshit
• [SIESTA-L] Total electron density Michel Sassi
  • Re: [SIESTA-L] Total electron density Yurko Natanzon
  • Re: [SIESTA-L] Total electron density Oleksandr Voznyy
  • Re: [SIESTA-L] Total electron density Lucas Fernández Seivane
• [SIESTA-L] Cobalt Ali Jaafar
  • Re: [SIESTA-L] Cobalt Sushil Auluck
  • Re: [SIESTA-L] Cobalt Marcos Verissimo Alves
  • Re: [SIESTA-L] Cobalt Noah, Meg A
  • Re: [SIESTA-L] Cobalt Eduardo Anglada

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