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[SIESTA-L] can SIESTA do LDA+U
Xi Zhu
Re: [SIESTA-L] can SIESTA do LDA+U
Gul Rahman
[SIESTA-L] shabbir
mian shabbir
[SIESTA-L] -ve frequencies in phonon calculation
bipul rakshit
[SIESTA-L] grid2cube
Saswata Bhattacharya
[SIESTA-L] Na pseudopotential
Mu J. Helien
Re: [SIESTA-L] Na pseudopotential
Marcos Verissimo Alves
Re: [SIESTA-L] Na pseudopotential
Mu J. Helien
Re: [SIESTA-L] Na pseudopotential
Nichols A. Romero
[SIESTA-L] how to exactly restart a SIESTA
Wang kunpeng
Re: [SIESTA-L] how to exactly restart a SIESTA
bipul rakshit
Re: [SIESTA-L] how to exactly restart a SIESTA
Wang kunpeng
Re: [SIESTA-L] how to exactly restart a SIESTA
bipul rakshit
Re: [SIESTA-L] how to exactly restart a SIESTA
Wang kunpeng
[SIESTA-L] Convergence of parameters !!!
Ashok Arya
Re: [SIESTA-L] Convergence of parameters !!!
Yong Liu
Re: [SIESTA-L] Convergence of parameters !!!
Marcos Verissimo Alves
[SIESTA-L] force and energy optimization
Saswata Bhattacharya
Re: [SIESTA-L] force and energy optimization
Andrei Postnikov
[SIESTA-L] generation of Psedupotential files
agri chemist
Re: [SIESTA-L] generation of Psedupotential files
Marcos Verissimo Alves
[SIESTA-L] PtN in pyrite calculation
bipul rakshit
Re: [SIESTA-L] PtN in pyrite calculation
Marcos Verissimo Alves
Re: [SIESTA-L] PtN in pyrite calculation
Engin Deligoz
[SIESTA-L] Ni and Co Pseudopotential
Woo Youn Kim
Re: [SIESTA-L] Ni and Co Pseudopotential
Dongwook Kim
[SIESTA-L] gnubands
Saswata Bhattacharya
Re: [SIESTA-L] gnubands
Yurko Natanzon
[SIESTA-L] FDF howto's
Vasilii Artyukhov
Re: [SIESTA-L] FDF howto's
Emilio Artacho
[SIESTA-L] Restrict geometry optimization
Yong Liu
Re: [SIESTA-L] Restrict geometry optimization
Yurko Natanzon
Re: [SIESTA-L] Restrict geometry optimization
Adam Gali
Re: [SIESTA-L] Restrict geometry optimization
Yong Liu
Re: [SIESTA-L] Restrict geometry optimization
Rainer Hoft
Re: [SIESTA-L] Restrict geometry optimization
Adam Gali
Re: [SIESTA-L] Restrict geometry optimization
Yong Liu
Re: [SIESTA-L] Restrict geometry optimization
Pablo Aguado
Re: [SIESTA-L] Restrict geometry optimization
Yurko Natanzon
Re: [SIESTA-L] Restrict geometry optimization
Pablo Aguado
Re: [SIESTA-L] Restrict geometry optimization
Yurko Natanzon
Re: [SIESTA-L] Restrict geometry optimization
Pablo Aguado
Re: [SIESTA-L] Restrict geometry optimization
Yong Liu
[SIESTA-L] how to calculate the values of strain tensor from forces or stress tensor?
Yurko Natanzon
Re: [SIESTA-L] how to calculate the values of strain tensor from forces or stress tensor?
Vasilii Artyukhov
Re: [SIESTA-L] how to calculate the values of strain tensor from forces or stress tensor?
Yurko Natanzon
Re: [SIESTA-L] Rho-problem
Michael Shin
Re: [SIESTA-L] PS and Basis of Vanadium
Michael Shin
[SIESTA-L] problem while compliing vibra on parallel IBM machine
bipul rakshit
[SIESTA-L] Relativistic
ang leesin
Re: [SIESTA-L] Relativistic
Vasilii Artyukhov
Re: [SIESTA-L] Relativistic
ang leesin
[SIESTA-L] Problem with gen-basis
Lazaro Calderin
Re: [SIESTA-L] Problem with gen-basis
Demetra Psiachos
Re: [SIESTA-L] Problem with gen-basis
Lazaro Calderin
Re: [SIESTA-L] Rho-problem
Michael Shin
Re: [SIESTA-L] Rho-problem
apostnik
Re: [SIESTA-L] Problem with gen-basis
Lazaro Calderin
[SIESTA-L] problem of compiling parallel siesta with mpich-ifc
小龙邹
Re: [SIESTA-L] problem of compiling parallel siesta with mpich-ifc
Marcos Verissimo Alves
Re: [SIESTA-L] problem of compiling parallel siesta with mpich-ifc
小龙邹
[SIESTA-L] Periodicity
Ian Shuttleworth
Re: [SIESTA-L] Periodicity
Marcos Verissimo Alves
Re: [SIESTA-L] Periodicity
Ian Shuttleworth
Re: [SIESTA-L] Periodicity
Marcos Verissimo Alves
[SIESTA-L] Tr : [SIESTA-L] user guide
cornil david
[SIESTA-L] user guide
agri chemist
[SIESTA-L] Diag.ParallelOverK
bipul rakshit
Re: [SIESTA-L] Diag.ParallelOverK
Yurko Natanzon
Re: [SIESTA-L] SPAM : Re: [SIESTA-L] Diag.ParallelOverK
Emilio Artacho
Re: [SIESTA-L] SPAM : Re: [SIESTA-L] Diag.ParallelOverK
Yurko Natanzon
Re: [SIESTA-L] SPAM : Re: [SIESTA-L] SPAM : Re: [SIESTA-L] Diag.ParallelOverK
Emilio Artacho
Re: [SIESTA-L] Diag.ParallelOverK
Oleksandr Voznyy
Re: [SIESTA-L] Diag.ParallelOverK
Yurko Natanzon
[SIESTA-L] introduction
agri chemist
Re: [SIESTA-L] introduction
Javier Junquera
Re: [SIESTA-L] introduction
Yurko Natanzon
[SIESTA-L] Density Matrix
Simon Dubois
Re: [SIESTA-L] Density Matrix
Hongjun Xiang
Re: [SIESTA-L] Density Matrix
Simon Dubois
[SIESTA-L] SiH SiH Broyden examples
Ian Shuttleworth
Re: [SIESTA-L] SiH SiH Broyden examples
Ian Shuttleworth
[SIESTA-L] optimised basis set with siesta
bipul rakshit
[SIESTA-L] [Fwd: Re: [SIESTA-L] Convergence of the parameters in SIESTA]
Marcos Verissimo Alves
Re: [SIESTA-L] [Fwd: Re: [SIESTA-L] Convergence of the parameters in SIESTA]
Yong Liu
Re: [SIESTA-L] [Fwd: Re: [SIESTA-L] Convergence of the parameters in SIESTA]
Pablo Aguado
[SIESTA-L] Convergence of the parameters in SIESTA
Yong Liu
[SIESTA-L] memory problem
Saswata Bhattacharya
Re: [SIESTA-L] memory problem
Eduardo Anglada
Re: [SIESTA-L] memory problem
Marcel Mohr
Re: [SIESTA-L] memory problem
Vasilii Artyukhov
[SIESTA-L] zeta exponents
Maria Fyta
Re: [SIESTA-L] zeta exponents
Marcos Verissimo Alves
Re: [SIESTA-L] zeta exponents
Oleksandr Voznyy
Re: [SIESTA-L] zeta exponents
Demetra Psiachos
[SIESTA-L] Posible SPAM: elastic constant calculations
Chun Li
Re: [SIESTA-L] Posible SPAM: elastic constant calculations
Vasilii Artyukhov
Re: [SIESTA-L] Posible SPAM: elastic constant calculations
Chun Li
Re: [SIESTA-L] Posible SPAM: elastic constant calculations
Oleksandr Voznyy
Re: [SIESTA-L] Posible SPAM: elastic constant calculations
Marcos Verissimo Alves
[SIESTA-L] 答复: [SIESTA-L] Posible SPAM: elasti c constant calculations
Wu Rongqin
[SIESTA-L] Visualization
Saswata Bhattacharya
Re: [SIESTA-L] Visualization
Andrei Postnikov
Re: [SIESTA-L] Visualization
Chun Li
[SIESTA-L] Error in Cholesky factorisation in cdiag
Zeila Zanolli
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Vasilii Artyukhov
Re: [SIESTA-L] Nanotube and its image
Michael Shin
Re: [SIESTA-L] Nanotube and its image
Marcel Mohr
[SIESTA-L] Au pseudopotential for Au
Mousumi Upadhyay Kahaly
[SIESTA-L] psf format
X. Feng
Re: [SIESTA-L] psf format
Nichols A. Romero
Re: [SIESTA-L] psf format
X. Feng
Re: [SIESTA-L] Au pseudopotential for Au
Kamaram Munira
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Zeila Zanolli
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Marcos Verissimo Alves
[SIESTA-L] Error in Cholesky factorisation in cdiag
A SEN
[SIESTA-L] Error in Cholesky factorisation in cdiag
bipul rakshit
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Cherry Y. Yates
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Sergey Lisenkov
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Cherry Y. Yates
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Vasilii Artyukhov
[SIESTA-L] Error in Cholesky factorisation in cdiag
Bohdan Andriyevskyy
Re: [SIESTA-L] Error in Cholesky factorisation in cdiag
Sushil Auluck
[SIESTA-L] Partial core correction; also Simplex
Vasilii Artyukhov
[SIESTA-L] problem parallel installation in AIX machine
bipul rakshit
Re: [SIESTA-L] problem parallel installation in AIX machine
Ricardo Faccio
[SIESTA-L] integration of grid property over a "MT sphere"
Andrei Postnikov
[SIESTA-L] Co-oedinate
Saswata Bhattacharya
[SIESTA-L] printing Fermi energy
Mousumi Upadhyay Kahaly
[SIESTA-L] printing Fermi energy
Mousumi Upadhyay Kahaly
Re: [SIESTA-L] printing Fermi energy
Marcos Verissimo Alves
[SIESTA-L] Mulliken population analysis
Edgar Martinez Guerra
[SIESTA-L] gen basis script
bipul rakshit
[SIESTA-L] compilation of parallel siesta problem
bipul rakshit
[SIESTA-L] compilation of parallel siesta problem
bipul rakshit
[SIESTA-L] siesta-2.0 in aix ibm machine
bipul rakshit
[SIESTA-L] Problem using latest mkl
Marcos Verissimo Alves
Re: [SIESTA-L] Problem using latest mkl
Marcos Verissimo Alves
Re: [SIESTA-L] Problem using latest mkl
Sergey Lisenkov
[SIESTA-L] scalapack lib for aix machines
bipul rakshit
[SIESTA-L] Cu slab
Ian Shuttleworth
Re: [SIESTA-L] Cu slab
Yurko Natanzon
Re: [SIESTA-L] Cu slab
Renato B. Pontes
Re: [SIESTA-L] Cu slab
Giacomo Giorgi
Re: [SIESTA-L] Cu slab
Ian Shuttleworth
[SIESTA-L]
atom4078
[SIESTA-L]
madani samah
[SIESTA-L]
kouliangzhi
[SIESTA-L]
cornil david
[SIESTA-L]
寇良志
Re: [SIESTA-L]
lan haiping
[SIESTA-L]
madani samah
[SIESTA-L]
reza behnam
Re: [SIESTA-L]
lan haiping
[SIESTA-L]
madani samah
[SIESTA-L]
Roberto Veiga
[SIESTA-L]
Sonia Mehra
Re: [SIESTA-L]
Pavel B Sorokin
Re: [SIESTA-L]
Sushil Auluck
[SIESTA-L]
Xu Lu
Re: [SIESTA-L]
apostnik
Re: [SIESTA-L]
Eduardo Anglada
Re: [SIESTA-L]
Xu Lu
Re: [SIESTA-L]
Eduardo Anglada
Re: [SIESTA-L]
Xu Lu
Re: [SIESTA-L]
Oleksandr Voznyy
Re: [SIESTA-L]
Yusia Rosee
Re: [SIESTA-L]
Pablo A. Denis
[SIESTA-L]
Xu Lu
Re: [SIESTA-L]
Oleksandr Voznyy
[SIESTA-L] message
atom4078
[SIESTA-L] metal surface
atom4078
[SIESTA-L] Format of .XV file
You Lin
Re: [SIESTA-L] Format of .XV file
Eduardo Anglada
Re: [SIESTA-L] Format of .XV file
You Lin
[SIESTA-L] Results differ in this and previous version of siesta
bipul rakshit
Re: [SIESTA-L] Results differ in this and previous version of siesta
Eduardo Anglada
Re: [SIESTA-L] Results differ in this and previous version of siesta
Alberto Garcia
[SIESTA-L] Wavefunctions
Nikolaos Beglitis
Re: [SIESTA-L] Wavefunctions
Eduardo Anglada
Re: [SIESTA-L] Wavefunctions
A.S.
[SIESTA-L] DSTEDC parameter number 8 - illegal value
Lindsay Shuller
Re: [SIESTA-L] DSTEDC parameter number 8 - illegal value
Eduardo Anglada
Re: [SIESTA-L] DSTEDC parameter number 8 - illegal value
Lindsay Shuller
[SIESTA-L] problem in vibra
bipul rakshit
[SIESTA-L] PZHEGVX parameter had an illegal value
Simon Dubois
Re: [SIESTA-L] PZHEGVX parameter had an illegal value
Eduardo Anglada
Re: [SIESTA-L] PZHEGVX parameter had an illegal value
Simon Dubois
Re: [SIESTA-L] PZHEGVX parameter had an illegal value
Eduardo Anglada
[SIESTA-L] gen basis
bipul rakshit
Re: [SIESTA-L] gen basis
Eduardo Anglada
[SIESTA-L] force
Saswata Bhattacharya
Re: [SIESTA-L] force
Eduardo Anglada
[SIESTA-L] CECAM Tutorial on Siesta
Alberto Garcia
[SIESTA-L] force
Saswata Bhattacharya
Re: [SIESTA-L] force
Eduardo Anglada
[SIESTA-L] one dimensional chain!
Piyush Dua
[SIESTA-L] XMol
Ian Shuttleworth
Re: [SIESTA-L] XMol
Emilio Artacho
[SIESTA-L] total charge and Bader analysis
Ivan Degtyarenko
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