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• [SIESTA-L] ElectronicTemperature sensitivity Zhu Xi
• [SIESTA-L] solid vs molecule pressure David Strubbe
  • [SIESTA-L] Fwd: solid vs molecule pressure David Strubbe
  • Re: [SIESTA-L] Fwd: solid vs molecule pressure Jose A. Torres
• [SIESTA-L] Na.psf Jiaye, LI
• [SIESTA-L] STM image for not rectangular cell: Si(111)-7x7 Руслан Жачук
• [SIESTA-L] problem on Diag.ParallelOverK Hiromasa OHNISHI
  • Re: [SIESTA-L] problem on Diag.ParallelOverK Hiromasa OHNISHI
• [SIESTA-L] dielectric tensor tim evans
• [SIESTA-L] spanning vectors florine bonald
• [SIESTA-L] Fwd: Re: [SIESTA-L] SIESTA School Announcement Iris Kohlbach
• Re: [SIESTA-L] occupation Zhu Xi
• [SIESTA-L] single input to perform several tasks Jonas Baltrusaitis
  • Re: [SIESTA-L] single input to perform several tasks Marcos Verissimo Alves
  • Re: [SIESTA-L] single input to perform several tasks Jonas Baltrusaitis
  • [SIESTA-L] approving a new account Jonas Baltrusaitis
  • [SIESTA-L] new account Jonas Baltrusaitis
  • [SIESTA-L] create new account? Jonas Baltrusaitis
• [SIESTA-L] error in LDOS and PDOS Sarah Lebedev
  • Re: [SIESTA-L] error in LDOS and PDOS Oleksandr Voznyy
  • Re: [SIESTA-L] error in LDOS and PDOS Pablo Aguado
  • Re: [SIESTA-L] error in LDOS and PDOS Sarah Lebedev
  • Re: [SIESTA-L] error in LDOS and PDOS Pablo Aguado
  • Re: [SIESTA-L] error in LDOS and PDOS Sarah Lebedev
• [SIESTA-L] fermi level in plots tim evans
  • Re: [SIESTA-L] fermi level in plots Marcos Verissimo Alves
• [SIESTA-L] Optical Calculation Problem Christopher Rowan
• [SIESTA-L] infrared intensities, solved? Markus Kaukonen
• Re: [SIESTA-L] SIESTA School Announcement Emma del Rio
  • Re: [SIESTA-L] SIESTA School Announcement Jose A.
  • Re: [SIESTA-L] SIESTA School Announcement N H
  • Re: [SIESTA-L] SIESTA School Announcement Nicolas Leconte
  • Re: [SIESTA-L] SIESTA School Announcement Jose A.
  • Re: [SIESTA-L] SIESTA School Announcement Jose A.
  • Re: [SIESTA-L] SIESTA School Announcement Nicolas Leconte
  • Re: [SIESTA-L] SIESTA School Announcement Jose A.
  • Re: [SIESTA-L] SIESTA School Announcement Padilha
  • Re: [SIESTA-L] SIESTA School Announcement N H
  • Re: [SIESTA-L] SIESTA School Announcement Iris Kohlbach
• [SIESTA-L] SIESTA with PGI8 anyone? Joachim Hein
  • Re: [SIESTA-L] SIESTA with PGI8 anyone? Min Cheol Kim
• [SIESTA-L] Question about Hartree Barraza-lopez, Salvador
• [SIESTA-L] kgrid_Monkhorst_Pack Yuvos Haye
• [SIESTA-L] memory corruption when doing optical calculation syk
• [SIESTA-L] Negative vibrational frequencies R.C.Pasianot
  • Re: [SIESTA-L] Negative vibrational frequencies apostnik
  • Re: [SIESTA-L] Negative vibrational frequencies R.C.Pasianot
  • Re: [SIESTA-L] Negative vibrational frequencies apostnik
  • Re: [SIESTA-L] Negative vibrational frequencies R.C.Pasianot
  • Re: [SIESTA-L] Negative vibrational frequencies apostnik
  • Re: [SIESTA-L] Negative vibrational frequencies R.C.Pasianot
• [SIESTA-L] band mixing problem with siesta Pablo A. Denis
  • Re: [SIESTA-L] band mixing problem with siesta apostnik
  • Re: [SIESTA-L] band mixing problem with siesta Pablo A. Denis
  • Re: [SIESTA-L] band mixing problem with siesta Jeffei Xu
  • Re: [SIESTA-L] band mixing problem with siesta Pablo A. Denis
• [SIESTA-L] pdosxml - fmpdos Sarah Lebedev
  • Re: [SIESTA-L] pdosxml - fmpdos apostnik
• [SIESTA-L] Siesta-Parallel-Compilation Error bjnagare
  • [SIESTA-L] Siesta-Parallel-Runtime-Seg Fault-Error Zhiping Xu
  • [SIESTA-L] Siesta-Parallel-Runtime-Seg Fault-Error Zhiping Xu
• [SIESTA-L] Parallel Calculation Loading Issues Min Cheol Kim
• [SIESTA-L] infrared peak intensities ? Markus Kaukonen
• [SIESTA-L] Anyone know how Siesta calculate the Fermi Level pei zhao
  • Re: [SIESTA-L] Anyone know how Siesta calculate the Fermi Level David Strubbe
• [SIESTA-L] atom index in non collinear spin asa aravindh
  • Re: [SIESTA-L] atom index in non collinear spin Ricardo Faccio
  • Re: [SIESTA-L] atom index in non collinear spin asa aravindh
  • Re: [SIESTA-L] atom index in non collinear spin Lucas Fernandez Seivane
  • Re: [SIESTA-L] atom index in non collinear spin asa aravindh
• [SIESTA-L] Bug in VIBRA ? R.C.Pasianot
• [SIESTA-L] single excitation for unpolarized sturucture Sarah Lebedev
  • Re: [SIESTA-L] single excitation for unpolarized sturucture Marcos Verissimo Alves
  • Re: [SIESTA-L] single excitation for unpolarized sturucture Sarah Lebedev
• [SIESTA-L] plotting difficulty catrina desport
  • Re: [SIESTA-L] plotting difficulty apostnik
• [SIESTA-L] GUI Ary Junior
  • Re: [SIESTA-L] GUI Lucas Fernandez Seivane
  • Re: [SIESTA-L] GUI Lucas Fernandez Seivane
  • Re: [SIESTA-L] GUI florine bonald
  • Re: [SIESTA-L] GUI Szyja, B.M.
• [SIESTA-L] NGC/CSTC 2009 meeting: Abstract submission deadline - May 1st (final) Anatoli Korkin
• [SIESTA-L] Using XC.hybrid functinal with CuAu Iyad Hijazi
  • Re: [SIESTA-L] Using XC.hybrid functinal with CuAu Bharat Medasani
  • Re: [SIESTA-L] Using XC.hybrid functinal with CuAu Iyad Hijazi
• [SIESTA-L] a bug in siesta's %block BandLines shanghui
• [SIESTA-L] Computer confiuration suitable for Siesta Serhan Yamacli
  • Re: [SIESTA-L] Computer confiuration suitable for Siesta Heiko Dumlich
  • Re: [SIESTA-L] Computer confiuration suitable for Siesta Serhan Yamacli
  • Re: [SIESTA-L] Computer confiuration suitable for Siesta vikas sharma
• [SIESTA-L] Research Scientist position fabio della sala
• [SIESTA-L] mulliken population? zhiyong wang
  • Re: [SIESTA-L] mulliken population? Marcos Verissimo Alves
  • Re: [SIESTA-L] mulliken population? zhiyong wang
  • Re: [SIESTA-L] mulliken population? apostnik
  • Re: [SIESTA-L] mulliken population? zhiyong wang
• [SIESTA-L] On tutorials Markus Kaukonen
• [SIESTA-L] problem with diagonalisation Gregory Geneste
• [SIESTA-L] Failure to converge standard eigenproblem error Zeila Zanolli
• [SIESTA-L] error in 4A CNTs calculation! Rose Mary
  • Re: [SIESTA-L] error in 4A CNTs calculation! Serhan Yamacli
  • Re: [SIESTA-L] error in 4A CNTs calculation! Rose Mary
• [SIESTA-L] MeshCutoff Convergence Test Min Cheol Kim
  • Re: [SIESTA-L] MeshCutoff Convergence Test apostnik
• [SIESTA-L] number of H in passivated structures. Sarah Lebedev
  • Re: [SIESTA-L] number of H in passivated structures. Oleksandr Voznyy
• [SIESTA-L] Convergence of force constants/frequency Zubaer Hossain
  • Re: [SIESTA-L] Convergence of force constants/frequency apostnik
  • Re: [SIESTA-L] Convergence of force constants/frequency Zubaer Hossain
  • Re: [SIESTA-L] Convergence of force constants/frequency Zubaer Hossain
• [SIESTA-L] Germanium pseudo with d electrons in the valence Giacomo Giorgi
• [SIESTA-L] Constrained cell optimization Gregory Geneste
  • Re: [SIESTA-L] Constrained cell optimization Marcos Verissimo Alves
  • Re: [SIESTA-L] Constrained cell optimization Marcos Verissimo Alves
• [SIESTA-L] Reproducing VASP k-points Markus Kaukonen
  • Re: [SIESTA-L] Reproducing VASP k-points Marcel Mohr
• [SIESTA-L] Bromine PBE-GGA Renato Borges Pontes
• [SIESTA-L] parallel command tim evans
• Re: [SIESTA-L] Strange band structure apostnik
  • Re: [SIESTA-L] Strange band structure apostnik
  • Re: [SIESTA-L] Strange band structure apostnik
• [SIESTA-L] Electrostatic potential calculated by Siesta Brad Wells
• [SIESTA-L] basis size problem Руслан Жачук
  • Re: [SIESTA-L] basis size problem Oleksandr Voznyy
• [SIESTA-L] How can I get the Parallel version!? N H
  • Re: [SIESTA-L] How can I get the Parallel version!? kuilin lu
  • Re: [SIESTA-L] How can I get the Parallel version!? Sébastien Le Roux
• [SIESTA-L] psudopotential & basis Rose Mary
  • Re: [SIESTA-L] psudopotential & basis HeeSung Choi
  • Re: [SIESTA-L] psudopotential & basis Serhan Yamacli
  • Re: [SIESTA-L] psudopotential & basis HeeSung Choi
• [SIESTA-L] about compile with intel fortran , mkl, mpich Yuanliang Xie
• [SIESTA-L] about DRHO? zhiyong wang
  • Re: [SIESTA-L] about DRHO? Oleksandr Voznyy
  • Re: [SIESTA-L] about DRHO? zhiyong wang
  • Re: [SIESTA-L] about DRHO? zhiyong wang
  • Re: [SIESTA-L] about DRHO? Oleksandr Voznyy
• [SIESTA-L] Problem with writing bands Joachim Fürst
• [SIESTA-L] Strange problem with basis set definition Lianheng Tong
• [SIESTA-L] dmol basis set? Lianheng Tong
• [SIESTA-L] PP and basis set for Aluminum XiaoHaiyan
  • Re: [SIESTA-L] PP and basis set for Aluminum Marcos Verissimo Alves
  • Re: [SIESTA-L] PP and basis set for Aluminum Marcos Verissimo Alves
• [SIESTA-L] question about mulliken: Atomic and Orbital Populations zhiyong wang
• [SIESTA-L] Maximum dynamic memory allocated Руслан Жачук
• [SIESTA-L] Neutral atom potential Zubaer Hossain
• [SIESTA-L] cross section calculation Sarah Lebedev
  • Re: [SIESTA-L] cross section calculation Riccardo Rurali
  • Re: [SIESTA-L] cross section calculation Pavel B Sorokin
• [SIESTA-L] single excitation theory Julie Smart
• [SIESTA-L] Parallel Siesta compiled for Windows Brad Wells
  • Re: [SIESTA-L] Parallel Siesta compiled for Windows Nguyen Ngoc Ha
• [SIESTA-L] GGA-PBE pseudo for Mg and O asa aravindh
• [SIESTA-L] charge density problem Sarah Lebedev
  • Re: [SIESTA-L] charge density problem Lucas Fernandez Seivane
  • Re: [SIESTA-L] charge density problem Sarah Lebedev
  • Re: [SIESTA-L] charge density problem Lucas Fernandez Seivane
• [SIESTA-L] How to introduce vacuum layer? pei zhao
• [SIESTA-L] Re : [SIESTA-L] plotting band-structure Dahbia Ammi
• [SIESTA-L] plotting band-structure catrina desport
• [SIESTA-L] changes of energy for a system under strain Julie Smart
  • Re: [SIESTA-L] changes of energy for a system under strain R.C.Pasianot
• [SIESTA-L] siesta in sunfire solaris Lamjed debbichi
  • Re: [SIESTA-L] siesta in sunfire solaris Lucas Fernandez Seivane
• [SIESTA-L] Parallel run - request for resources in PBS Pro Руслан Жачук
• [SIESTA-L] Obviously poor PARALLEL performance compared to VASP Mehmet Topsakal
  • Re: [SIESTA-L] Obviously poor PARALLEL performance compared to VASP R.C.Pasianot
  • Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP Marcel Mohr
  • Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP Lucas Fernandez Seivane
  • Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP Mehmet Topsakal
• [SIESTA-L] Errors in PARALLEL run: collective abort of all ranks Руслан Жачук
  • Re: [SIESTA-L] Errors in PARALLEL run: collective abort of all ranks R.C.Pasianot
• [SIESTA-L] Parameters for InAs? Lianheng Tong
  • Re: [SIESTA-L] Parameters for InAs? Oleksandr Voznyy
  • [SIESTA-L] About wxml Marcos Verissimo Alves
  • Re: [SIESTA-L] About wxml Oleksandr Voznyy
  • Re: [SIESTA-L] About wxml apostnik
• [SIESTA-L] PolarizationGrids for slabs and wires florine bonald
  • [SIESTA-L] density matrix format Anders Odell
• [SIESTA-L] New SIESTA Website Jose A.
• [SIESTA-L] Problem about modules (urgent!) florine bonald
  • Re: [SIESTA-L] Problem about modules (urgent!) florine bonald
• [SIESTA-L] .sot extention Julie Smart
• [SIESTA-L] xyz format input problem Sridhar Neelamraju
  • Re: [SIESTA-L] xyz format input problem R.C.Pasianot
  • Re: [SIESTA-L] xyz format input problem Ramiro Cardona Cardona
  • Re: [SIESTA-L] xyz format input problem Javad Hashemi
  • Re: [SIESTA-L] xyz format input problem Sridhar Neelamraju
• [SIESTA-L] Projected density of states bipul rakshit
• [SIESTA-L] ForceTol for each atom pei zhao
  • Re: [SIESTA-L] ForceTol for each atom Ulrich Biedermann
  • Re: [SIESTA-L] ForceTol for each atom pei zhao
• [SIESTA-L] k-point shift Alexandre Lebon
  • Re: [SIESTA-L] k-point shift apostnik
• [SIESTA-L] compiling Siesta Helio Anderson Duarte
• [SIESTA-L] Compiling the program Helio Anderson Duarte
• [SIESTA-L] Gradient and laplacian with respect to basis functions coefficients Silvio a Beccara
• [SIESTA-L] problem in FERMID asa aravindh
  • Re: [SIESTA-L] problem in FERMID Pablo Ordejón Rontomé
  • Re: [SIESTA-L] problem in FERMID asa aravindh

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