siesta-l
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2008/07/01
Re: [SIESTA-L] HOW TO INCREASEBAND GAP
N H
2008/07/01
Re: [SIESTA-L] HOW TO INCREASEBAND GAP
N H
2008/07/01
Re: [SIESTA-L] HOW TO INCREASEBAND GAP
Noah, Meg A
2008/07/01
Re: [SIESTA-L] rgarding Bulkmodulus
Sonia Mehra
2008/07/01
[SIESTA-L] HOW TO INCREASEBAND GAP
Sonia Mehra
2008/07/01
Re: [SIESTA-L] Parallel SIESTA 2.0 on Power Architecture
David Strubbe
2008/06/30
[SIESTA-L] Parallel SIESTA 2.0 on Power Architecture
Thomas Sadowski
2008/06/30
[SIESTA-L] scf not converge in Phonon calculation of platinum nitride
bipul rakshit
2008/06/30
[SIESTA-L] Phonon calculation of Pyrite PtN2
bipul rakshit
2008/06/27
Re: [SIESTA-L] Memory problem when running Siesta in parallel
Marcos Verissimo Alves
2008/06/27
[SIESTA-L] Memory problem when running Siesta in parallel
Kamaram Munira
2008/06/26
[SIESTA-L] Parallel run error
Kamaram Munira
2008/06/26
[SIESTA-L] Follow up: [SIESTA-L] Clustered eigenvalues not converged - more memory required
Derek A. Stewart
2008/06/26
Re: [SIESTA-L] rgarding Bulkmodulus
Sushil Auluck
2008/06/26
Re: [SIESTA-L] rgarding Bulkmodulus
Sonia Mehra
2008/06/25
Re: [SIESTA-L] Cobalt
Marcos Verissimo Alves
2008/06/24
Re: [SIESTA-L] Clustered eigenvalues not converged - more memory required
Marcos Verissimo Alves
2008/06/24
Re: [SIESTA-L] Clustered eigenvalues not converged - more memory required
Derek A. Stewart
2008/06/24
Re: [SIESTA-L] Clustered eigenvalues not converged - more memory required
Marcos Verissimo Alves
2008/06/24
[SIESTA-L] Clustered eigenvalues not converged - more memory required
Derek A. Stewart
2008/06/24
Re: [SIESTA-L] Basis for Fe
Jaime Ferrer
2008/06/24
[SIESTA-L] Basis for Fe
Roberto Veiga
2008/06/21
[SIESTA-L] Error while running siesta in Parallel
Kamaram Munira
2008/06/21
Re: [SIESTA-L] rgarding Bulkmodulus
Yurko Natanzon
2008/06/21
Re: [SIESTA-L] rgarding Bulkmodulus
Sushil Auluck
2008/06/21
Re: [SIESTA-L] regarding error
Sonia Mehra
2008/06/21
[SIESTA-L] rgarding Bulkmodulus
Sonia Mehra
2008/06/21
Re: [SIESTA-L] regarding error
Sushil Auluck
2008/06/20
[SIESTA-L] Plotting band dispersion as surfaces for 2D structures
Vasilii Artyukhov
2008/06/19
Re: [SIESTA-L] Total electron density
Lucas Fernández Seivane
2008/06/19
Re: [SIESTA-L] Cobalt
Eduardo Anglada
2008/06/19
Re: [SIESTA-L] Cobalt
Noah, Meg A
2008/06/19
Re: [SIESTA-L] Total electron density
Oleksandr Voznyy
2008/06/19
Re: [SIESTA-L] Cobalt
Marcos Verissimo Alves
2008/06/19
Re: [SIESTA-L] Cobalt
Subhra Kulshrestha
2008/06/19
Re: [SIESTA-L] Total electron density
Yurko Natanzon
2008/06/19
Re: [SIESTA-L] Cobalt
Sushil Auluck
2008/06/19
[SIESTA-L] Fwd: How to optimise an ortho-rhombic crystal structure.
Bipul Rakshit
2008/06/19
[SIESTA-L] Total electron density
Michel Sassi
2008/06/19
[SIESTA-L] Cobalt
Ali Jaafar
2008/06/17
[SIESTA-L] Fwd: parallel siesta library problems
antonio aliano
2008/06/17
[SIESTA-L] parallel siesta library problems
antonio aliano
2008/06/17
Re: [SIESTA-L] the band structure of graphene
박준호
2008/06/17
Re: [SIESTA-L] Band plotting in supercells
Vasilii Artyukhov
2008/06/16
Re: [SIESTA-L] the band structure of graphene
zhiyong wang
2008/06/14
[SIESTA-L] parallel version
madani samah
2008/06/13
Re: [SIESTA-L] External E field
Xavier Cartoixa Soler
2008/06/12
[SIESTA-L] External E field
Ricardo Faccio
2008/06/12
Re: [SIESTA-L] the band structure of graphene
박준호
2008/06/12
[SIESTA-L] Problem with grid2cube file
jyotsna chauhan
2008/06/12
[SIESTA-L]
madani samah
2008/06/11
Re: [SIESTA-L] Posible SPAM: how to introduce space group in phonon calculation
Marty Blaber
2008/06/11
Re: [SIESTA-L] Posible SPAM: how to introduce space group in phonon calculation
Marty Blaber
2008/06/11
Re: [SIESTA-L] Posible SPAM: how to introduce space group in phonon calculation
Marty Blaber
2008/06/11
Re: [SIESTA-L] parallel version and mpi
Bharat
2008/06/11
Re: [SIESTA-L] parallel version and mpi
antonio aliano
2008/06/11
Re: [SIESTA-L] how to introduce space group in phonon calculation
Marcel Mohr
2008/06/10
[SIESTA-L] Posible SPAM: how to introduce space group in phonon calculation
vikas sharma
2008/06/10
Re: [SIESTA-L] bulk modulus
Marcos Verissimo Alves
2008/06/10
Re: [SIESTA-L] bulk modulus
Yurko Natanzon
2008/06/10
Re: [SIESTA-L] bulk modulus
zubaer
2008/06/10
Re: [SIESTA-L] bulk modulus
Marcel Mohr
2008/06/10
[SIESTA-L] bulk modulus
madani samah
2008/06/09
Re: [SIESTA-L] Making siesta work with fractional electrons invalence orbitals
Edan Scriven
2008/06/09
Re: [SIESTA-L] Siesta for mac
Lucas Wagner
2008/06/09
[SIESTA-L] Siesta for mac
antonio aliano
2008/06/06
[SIESTA-L] Making siesta work with fractional electrons in valence orbitals
M Bharat Kumar
2008/06/06
Re: [SIESTA-L] EHarris NaN error
Eduardo Anglada
2008/06/06
Re: [SIESTA-L] SIC
Eduardo Anglada
2008/06/06
[SIESTA-L] SIC
eb na
2008/06/05
[SIESTA-L] EHarris NaN error
Sharat Chandra
2008/06/05
Re: [SIESTA-L] problem with more than 1 processor
Sharat Chandra
2008/06/04
Re: [SIESTA-L] WARNING: Qtot
Eduardo Anglada
2008/06/03
Re: [SIESTA-L] triclinic lattice
reza behnam
2008/06/03
Re: [SIESTA-L] WARNING: Qtot
reza behnam
2008/06/03
[SIESTA-L] question about the band structure
zhiyong wang
2008/06/03
Re: [SIESTA-L] SIESTA-L Digest - 30 May 2008 to 2 Jun 2008 (#2008-126)
Lubomir Smrcok
2008/06/02
[SIESTA-L] the band structure of graphene
zhiyong wang
2008/06/02
Re: [SIESTA-L] triclinic lattice
apostnik
2008/06/02
Re: [SIESTA-L] triclinic lattice
Chol-Jun Yu
2008/06/02
Re: [SIESTA-L] triclinic lattice
apostnik
2008/06/02
[SIESTA-L] triclinic lattice
Chol-Jun Yu
2008/05/30
Re: [SIESTA-L] Tersoff-Hamann approach
Riccardo Rurali
2008/05/29
[SIESTA-L] Tersoff-Hamann approach
reza behnam
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Sushil Auluck
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Sushil Auluck
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Sergey Lisenkov
2008/05/28
Re: [SIESTA-L] parallel version and mpi
Eduardo Anglada
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Chol-Jun Yu
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Chol-Jun Yu
2008/05/28
Re: [SIESTA-L] parallel version and mpi
R.C.Pasianot
2008/05/28
Re: [SIESTA-L] ghost atoms: labels
Eduardo Anglada
2008/05/28
[SIESTA-L] parallel version and mpi
antonio aliano
2008/05/28
[SIESTA-L] ghost atoms: labels
apostnik
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Marcel Mohr
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Eduardo Anglada
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Chol-Jun Yu
2008/05/28
Re: [SIESTA-L] WARNING: Qtot
Eduardo Anglada
2008/05/28
Re: [SIESTA-L] compile error of parallel version
Eduardo Anglada
2008/05/28
[SIESTA-L] compile error of parallel version
Chol-Jun Yu
2008/05/27
Re: [SIESTA-L] WARNING: Qtot
Edan Scriven
2008/05/27
[SIESTA-L] WARNING: Qtot
reza behnam
2008/05/26
[SIESTA-L] Fw: Bug in band structure.
bipul rakshit
2008/05/23
Re: [SIESTA-L] negative value for MESH
Lucas Fernandez Seivane
2008/05/23
Re: [SIESTA-L] negative value for MESH
Eduardo Anglada
2008/05/23
Re: [SIESTA-L] negative value for MESH
M.Sairam Swaroop
2008/05/23
Re: [SIESTA-L] negative value for MESH
Eduardo Anglada
2008/05/23
Re: [SIESTA-L] negative value for MESH
M.Sairam Swaroop
2008/05/22
Re: [SIESTA-L] negative value for MESH
M.Sairam Swaroop
2008/05/22
Re: [SIESTA-L] negative value for MESH
Eduardo Anglada
2008/05/22
[SIESTA-L] negative value for MESH
M.Sairam Swaroop
2008/05/21
Re: [SIESTA-L] Regarding some error in optical properties
Subhra Kulshrestha
2008/05/21
Re: [SIESTA-L] Regarding some error in optical properties
Eduardo Anglada
2008/05/21
[SIESTA-L] Regarding some error in optical properties
Subhra Kulshrestha
2008/05/21
Re: [SIESTA-L] Total energy vs. Energy Shift convergence
Eduardo Anglada
2008/05/20
[SIESTA-L] Re : [SIESTA-L] Regarding real part of dielectric function
karim rezouali
2008/05/20
[SIESTA-L] Regarding real part of dielectric function
Nidhi Sharma
2008/05/19
Re: [SIESTA-L] Pseudopotential issue
Sanjay Bidasaria
2008/05/19
[SIESTA-L] Pseudopotential issue
Anastassia Alexandrova
2008/05/19
[SIESTA-L] Bug in band structure.
bipul rakshit
2008/05/19
Re: [SIESTA-L] MgO e vs V curve
N H
2008/05/19
[SIESTA-L] MgO e vs V curve
Sonia Mehra
2008/05/16
Re: [SIESTA-L] MnO No bandgap with AFII magnetisation
Prof. Dr. Kemal ÇOLAKOGLU
2008/05/15
[SIESTA-L] Total energy vs. Energy Shift convergence
Roberto Sapiens
2008/05/15
Re: [SIESTA-L] MnO No bandgap with AFII magnetisation
Huiqun Zhou
2008/05/15
Re: [SIESTA-L] MnO No bandgap with AFII magnetisation
Lydia Nemec
2008/05/14
Re: [SIESTA-L] MnO No bandgap with AFII magnetisation
Marcos Verissimo Alves
2008/05/14
[SIESTA-L] MnO No bandgap with AFII magnetisation
Lydia Nemec
2008/05/13
Re: [SIESTA-L] run time error, file m_wxml_text.F90
Anastassia Alexandrova
2008/05/13
Re: [SIESTA-L] run time error, file m_wxml_text.F90
reza behnam
2008/05/13
[SIESTA-L] error, file m_wxml_text.F90
Anastassia Alexandrova
2008/05/13
[SIESTA-L] run time error, file m_wxml_text.F90
Anastassia Alexandrova
2008/05/13
Re: [SIESTA-L] Convergence test for the mesh cut-off and k-point
Eduardo Anglada
2008/05/13
Re: [SIESTA-L] Wrong Results with pathscale compiler
Eduardo Anglada
2008/05/13
[SIESTA-L] Fwd: [SIESTA-L] Wrong Results with pathscale compil
Pablo Aguado
2008/05/10
Re: [SIESTA-L] Convergence test for the mesh cut-off and k-point
vikas thakur
2008/05/10
Re: [SIESTA-L] regarding Installation
vikas thakur
2008/05/09
Re: [SIESTA-L] Overestimation of optimized lattice constant for SmTe
Oleksandr Voznyy
2008/05/09
Re: [SIESTA-L] cell optimization with fixed angles
Eduardo Anglada
2008/05/09
Re: [SIESTA-L] multiple-zeta
Eduardo Anglada
2008/05/09
Re: [SIESTA-L] Overestimation of optimized lattice constant for SmTe
Eduardo Anglada
2008/05/09
Re: [SIESTA-L] determining Fermi energy
Eduardo Anglada
2008/05/09
Re: [SIESTA-L] regarding Installation
Eduardo Anglada
2008/05/09
Re: [SIESTA-L] Wrong Results with pathscale compil
Pablo Aguado
2008/05/09
Re: [SIESTA-L] evs V curve
Marcel Mohr
2008/05/09
[SIESTA-L] Wrong Results with pathscale compil
Dipl.-Phys. Philipp Plänitz
2008/05/09
Re: [SIESTA-L] evs V curve
Sonia Mehra
2008/05/09
[SIESTA-L] Wrong Results with pathscale compiler
Dipl.-Phys. Philipp Plänitz
2008/05/07
[SIESTA-L] Convergence test for the mesh cut-off and k-point
Nidhi Sharma
2008/05/06
Re: [SIESTA-L] Unregistration
Marcel Mohr
2008/05/06
[SIESTA-L] Unregistration
murali krishna
2008/05/06
[SIESTA-L] cell optimization with fixed angles
eb na
2008/05/05
[SIESTA-L] multiple-zeta
Alexandre Lebon
2008/05/03
Re: [SIESTA-L] Overestimation of optimized lattice constant for SmTe
N H
2008/05/03
[SIESTA-L] Overestimation of optimized lattice constant for SmTe
Nidhi Sharma
2008/05/02
Re: [SIESTA-L] determining Fermi energy
David Strubbe
2008/05/02
Re: [SIESTA-L] determining Fermi energy
eb na
2008/04/30
[SIESTA-L] regarding Installation
vikas thakur
2008/04/30
Re: [SIESTA-L] evs V curve
Marcel Mohr
2008/04/30
[SIESTA-L] evs V curve
Sonia Mehra
2008/04/30
[SIESTA-L] regarding compilation
vikas thakur
2008/04/29
Re: [SIESTA-L] evolution of the Nose variable
Eduardo Anglada
2008/04/29
Re: [SIESTA-L] Pseudopotential and basis for Co
Eduardo Anglada
2008/04/28
Re: [SIESTA-L] List-directed I/O syntax error
Roberto Sapiens
2008/04/28
Re: [SIESTA-L] List-directed I/O syntax error
Marcos Verissimo Alves
2008/04/28
Re: [SIESTA-L] List-directed I/O syntax error
Ricardo Faccio
2008/04/28
Re: [SIESTA-L] List-directed I/O syntax error
Marcel Mohr
2008/04/28
[SIESTA-L] List-directed I/O syntax error
Roberto Sapiens
2008/04/28
[SIESTA-L] Pseudopotential and basis for Co
Ali Jaafar
2008/04/26
[SIESTA-L] evolution of the Nose variable
Zeila Zanolli
2008/04/25
[SIESTA-L] about the magnitude of the external electric field
Yusia Rosee
2008/04/25
[SIESTA-L] about external electrical field
Yusia Rosee
2008/04/25
Re: [SIESTA-L] How to define Bulk Modulus
Nidhi Sharma
2008/04/24
[SIESTA-L] optical
Lamjed debbichi
2008/04/24
Re: [SIESTA-L] Charged molecule adsorbed onto a surface
Roberto Sapiens
2008/04/24
Re: [SIESTA-L] Charged molecule adsorbed onto a surface
lan haiping
2008/04/24
[SIESTA-L] Charged molecule adsorbed onto a surface
Roberto Sapiens
2008/04/24
Re: [SIESTA-L] How to define Bulk Modulus
Sushil Auluck
2008/04/24
Re: [SIESTA-L] How to define Bulk Modulus
Sushil Auluck
2008/04/24
Re: [SIESTA-L] How to define Bulk Modulus
N H
2008/04/24
Re: [SIESTA-L] Ionized molecule
Marcos Verissimo Alves
2008/04/24
Re: [SIESTA-L] How to define Bulk Modulus
Nidhi Sharma
2008/04/24
[SIESTA-L] Ionized molecule
eb na
2008/04/24
Re: [SIESTA-L] How to define Bulk Modulus
apostnik
2008/04/24
Re: [SIESTA-L] How to define Bulk Modulus
Nidhi Sharma
2008/04/23
Re: [SIESTA-L] basis problem
apostnik
2008/04/23
Re: [SIESTA-L] basis problem
Eduardo Anglada
2008/04/23
Re: [SIESTA-L] basis problem
Vasilii Artyukhov
2008/04/23
[SIESTA-L] basis problem
Zhu Xi
2008/04/23
Re: [SIESTA-L] How to define Bulk Modulus
Andrei Postnikov
2008/04/23
[SIESTA-L] How to define Bulk Modulus
Nidhi Sharma
2008/04/23
Re: [SIESTA-L] How to get the wave function
Riccardo Rurali
2008/04/22
Re: [SIESTA-L] How to get the wave function
Yusia Rosee
2008/04/22
[SIESTA-L] Zn basis and pseudo
Gustavo T. Feliciano
2008/04/22
Re: [SIESTA-L] How to get the wave function
Riccardo Rurali
2008/04/22
[SIESTA-L] How to get the wave function
Yusia Rosee
2008/04/21
[SIESTA-L] Looking for parallel SIESTA users of UIUC
zubaer
2008/04/21
[SIESTA-L] Indium pseudopotential
karim rezouali
2008/04/21
[SIESTA-L] Parallel SIESTA on Cluster
zubaer
2008/04/21
Re: [SIESTA-L] regarding pseudopotential of U
N H
Earlier messages
Later messages