Messages by Date
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2011/11/08
[Wien] density matrix
Yundi Quan
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2011/11/08
[Wien] .machines files and pbs system
Bin Shao
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2011/11/08
[Wien] .machines files and pbs system
Peter Blaha
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2011/11/08
[Wien] rotate axis in DOS calculation
Peter Blaha
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2011/11/08
[Wien] .machines files and pbs system
Bin Shao
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2011/11/08
[Wien] rotate axis in DOS calculation
Yundi Quan
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2011/11/07
[Wien] Calculation for Heavy atom
Peter Blaha
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2011/11/07
[Wien] errors during instalation.
Maxim Rakitin
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2011/11/07
[Wien] errors during instalation.
Gavin Abo
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2011/11/07
[Wien] Calculation for Heavy atom
David Tompsett
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2011/11/07
[Wien] errors during instalation.
Zahra Talebi
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2011/11/07
[Wien] PhD job offer
ROBERTO LUIS IGLESIAS PASTRANA
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2011/11/06
[Wien] number of k-points problem when plotting band structure
Peter Blaha
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2011/11/06
[Wien] Hey Wien
zia.alig....@gmail.com
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2011/11/06
[Wien] Determination of the atomic orbitals?
Souheyla Mamoun
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2011/11/05
[Wien] number of k-points problem when plotting band structure
王静
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2011/11/04
[Wien] Rutile structure and antiferromagnetic calculation
Pablo de la Mora
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2011/11/04
[Wien] wien2k can handle "LDA+U" + Zeeman?
César de la Fuente
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2011/11/04
[Wien] number of k-points problem when plotting band structure
Peter Blaha
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2011/11/03
[Wien] change in default scf cycles
Ghosh SUDDHASATTWA
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2011/11/03
[Wien] change in default scf cycles
AJAY SINGH VERMA
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2011/11/03
[Wien] number of k-points problem when plotting band structure
王静
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2011/11/02
[Wien] kmax for lapw3
ZhenChen
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2011/11/02
[Wien] wien2k can handle "LDA+U" + Zeeman?
Peter Blaha
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2011/11/02
[Wien] wien2k can handle "LDA+U" + Zeeman?
César de la Fuente
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2011/11/02
[Wien] kmax for lapw3
Peter Blaha
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2011/11/01
[Wien] integrated DOS
Yundi Quan
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2011/11/01
[Wien] kmax for lapw3
ZhenChen
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2011/11/01
[Wien] integrated DOS
Stefaan Cottenier
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2011/11/01
[Wien] integrated DOS
Yundi Quan
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2011/10/31
[Wien] Rutile structure and antiferromagnetic calculation
Peter Blaha
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2011/10/30
[Wien] Error in Parallel Optical Calculations
Chinedu Ekuma
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2011/10/30
[Wien] Error in Parallel Optical Calculations
Ong Phuong Khuong
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2011/10/30
[Wien] Error in Parallel Optical Calculations
Chinedu Ekuma
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2011/10/28
[Wien] ERROR: negative position in rstruc. Please report
Yundi Quan
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2011/10/28
[Wien] ERROR: negative position in rstruc. Please report
Yundi Quan
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2011/10/28
[Wien] Rutile structure and antiferromagnetic calculation
Pablo de la Mora
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2011/10/28
[Wien] lapw1 divide by zero error
viel...@onid.orst.edu
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2011/10/27
[Wien] lapw1 divide by zero error
Gerhard Fecher
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2011/10/27
[Wien] lapw1 divide by zero error
Laurence Marks
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2011/10/27
[Wien] lapw1 divide by zero error
viel...@onid.orst.edu
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2011/10/27
[Wien] lapw1 divide by zero error
Laurence Marks
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2011/10/27
[Wien] lapw1 divide by zero error
viel...@onid.orst.edu
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2011/10/27
[Wien] Problem with electron density
van...@urisan.tche.br
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2011/10/27
[Wien] rare earth + Mo system
Laurence Marks
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2011/10/27
[Wien] rare earth + Mo system
tripurari sinha
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2011/10/26
[Wien] Bus error
Peter Blaha
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2011/10/26
[Wien] electron density
van...@urisan.tche.br
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2011/10/26
[Wien] Error in PAIRHESS and Error in LAPW1
sufyan
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2011/10/26
[Wien] Bus error
viel...@onid.orst.edu
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2011/10/26
[Wien] MSR1a
Laurence Marks
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2011/10/26
[Wien] Electron density
Andrzej Koleżyński
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2011/10/26
[Wien] Electron density
van...@urisan.tche.br
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2011/10/26
[Wien] lapwdm
Bin Shao
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2011/10/26
[Wien] lapwdm
Bin Shao
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2011/10/26
[Wien] lapwdm
Stefaan Cottenier
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2011/10/26
[Wien] lapwdm
Bin Shao
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2011/10/25
[Wien] Need advice for modeling the band gap in a charge transfer insulator
shamik chakrabarti
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2011/10/25
[Wien] Need advice for modeling the band gap in a charge transfer insulator
Peter Blaha
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2011/10/25
[Wien] band structure
Peter Blaha
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2011/10/25
[Wien] band structure
Gerhard Fecher
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2011/10/25
[Wien] Need advice for modeling the band gap in a charge transfer insulator
Shamik Chakrabarti
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2011/10/25
[Wien] band structure
van...@urisan.tche.br
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2011/10/25
[Wien] Need advice for modeling the band gap in a charge transfer insulator
Peter Blaha
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2011/10/25
[Wien] A Package for finding elastic constants of orthorhombic symmetry but .....
Rostam Golesorkhtabar
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2011/10/25
[Wien] Fwd: Need advice for modeling the band gap in a charge transfer insulator
shamik chakrabarti
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2011/10/25
[Wien] Need advice for modeling the band gap in a charge transfer insulator
shamik chakrabarti
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2011/10/25
[Wien] A Package for finding elastic constants of orthorhombic symmetry but .....
morteza jamal
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2011/10/25
[Wien] Need advice for modeling the band gap in a charge transfer insulator
David Tompsett
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2011/10/25
[Wien] Need advice for modeling the band gap in a charge transfer insulator
shamik chakrabarti
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2011/10/25
[Wien] structure file
Gerhard Fecher
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2011/10/25
[Wien] structure file
Jinjan Ren
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2011/10/25
[Wien] unit of DOS
Jinjan Ren
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2011/10/25
[Wien] [SPAM?] LSDA + U calculation
Peter Blaha
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2011/10/25
[Wien] [SPAM?] Question about different result.
Song, Young Joon
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2011/10/24
[Wien] presentation of results at a conference
Patricia Abdel Rahim
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2011/10/24
[Wien] unit of DOS
Rocquefelte
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2011/10/24
[Wien] ploting potential
Mohamad Monazam
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2011/10/24
[Wien] unit of DOS
Jinjan Ren
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2011/10/24
[Wien] [SPAM?] LSDA + U calculation
kangb...@lycos.co.kr
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2011/10/23
[Wien] valence charge
Peter Blaha
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2011/10/23
[Wien] valence charge
Yundi Quan
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2011/10/23
[Wien] [SPAM?] LSDA + U calculation
Peter Blaha
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2011/10/22
[Wien] [SPAM?] LSDA + U calculation
kangb...@lycos.co.kr
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2011/10/22
[Wien] for inorb file
kangb...@lycos.co.kr
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2011/10/22
[Wien] for inorb file
quanyundi
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2011/10/22
[Wien] for inorb file
kangb...@lycos.co.kr
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2011/10/22
[Wien] for inorb file
quanyundi
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2011/10/22
[Wien] for inorb file
t...@theochem.tuwien.ac.at
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2011/10/22
[Wien] for inorb file
kangb...@lycos.co.kr
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2011/10/22
[Wien] [SPAM?] LSDA + U calculation
kangb...@lycos.co.kr
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2011/10/22
[Wien] mBJ
quanyundi
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2011/10/21
[Wien] mBJ
t...@theochem.tuwien.ac.at
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2011/10/21
[Wien] orbital-projected charge
Yundi Quan
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2011/10/21
[Wien] mBJ
Yundi Quan
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2011/10/21
[Wien] error message
Kurt Lejaeghere
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2011/10/21
[Wien] error message
Saad Omran
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2011/10/21
[Wien] error message
Laurence Marks
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2011/10/21
[Wien] error message
Kurt Lejaeghere
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2011/10/21
[Wien] error message
Saad Omran
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2011/10/21
[Wien] zero DOS at fermi level
Peter Blaha
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2011/10/21
[Wien] zero DOS at fermi level
Jinjan Ren
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2011/10/20
[Wien] The symmetry is not recognized by Wien
Peter Blaha
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2011/10/20
[Wien] The symmetry is not recognized by Wien
Peter Blaha
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2011/10/20
[Wien] orbital-projected charge
Peter Blaha
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2011/10/19
[Wien] orbital-projected charge
Yundi Quan
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2011/10/19
[Wien] The symmetry is not recognized by Wien
王静
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2011/10/19
[Wien] LDA+U
Yundi Quan
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2011/10/18
[Wien] calculation of X-ray spectra for a magnetic system with spin-orbit coupling?
Jian-Xin Zhu
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2011/10/18
[Wien] input_files
Valentina Capogrosso
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2011/10/18
[Wien] SOC basic question
pieper
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2011/10/17
[Wien] Phonon Package!!
Ghosh SUDDHASATTWA
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2011/10/17
[Wien] LDA+U
Fagner Leite Leite
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2011/10/17
[Wien] LDA+U
Yundi Quan
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2011/10/17
[Wien] spaghetti.def failed
iaki island
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2011/10/17
[Wien] spaghetti.def failed
iaki island
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2011/10/17
[Wien] SOC basic question
Lukasz Plucinski
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2011/10/17
[Wien] LSDA+U
quanyundi
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2011/10/17
[Wien] error after submitting the job
Peter Blaha
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2011/10/17
[Wien] error after submitting the job
Mayuresh Mukadam
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2011/10/17
[Wien] Phonon Package!!
ahmad gharleghi
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2011/10/17
[Wien] Phonon Package!!
ahmad gharleghi
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2011/10/17
[Wien] Thank you- there is another question!
Peter Blaha
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2011/10/17
[Wien] Thanks a Lot!
ahmad gharleghi
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2011/10/17
[Wien] input_files
Peter Blaha
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2011/10/17
[Wien] input_files
Valentina Capogrosso
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2011/10/17
[Wien] WARNING: EF not accurate, new emin,emax,NE-min,NE-max
Jinjan Ren
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2011/10/17
[Wien] Which computer operating system?
Peter Blaha
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2011/10/16
[Wien] k mesh
Peter Blaha
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2011/10/16
[Wien] DMFT
Peter Blaha
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2011/10/16
[Wien] WARNING: EF not accurate, new emin,emax,NE-min,NE-max
Peter Blaha
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2011/10/16
[Wien] LSDA+U
Yundi Quan
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2011/10/16
[Wien] DMFT
Yundi Quan
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2011/10/16
[Wien] space group
Yundi Quan
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2011/10/15
[Wien] WARNING: EF not accurate, new emin,emax,NE-min,NE-max
Jinjan Ren
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2011/10/15
[Wien] k mesh
t...@theochem.tuwien.ac.at
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2011/10/15
[Wien] k mesh
Yundi Quan
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2011/10/14
[Wien] Problem with SuperCell
van...@urisan.tche.br
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2011/10/14
[Wien] Which computer operating system?
ahmad gharleghi
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2011/10/14
[Wien] A question regarding GGA+U method
shamik chakrabarti
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2011/10/14
[Wien] input_files
Valentina Capogrosso
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2011/10/14
[Wien] A question regarding GGA+U method
t...@theochem.tuwien.ac.at
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2011/10/13
[Wien] A question regarding GGA+U method
shamik chakrabarti
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2011/10/13
[Wien] Thank you- there is another question!
ahmad gharleghi
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2011/10/12
[Wien] Some Question about Wien2K Package!
Peter Blaha
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2011/10/12
[Wien] Some Question about Wien2K Package!
ahmad gharleghi
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2011/10/12
[Wien] question about ISPLIT and orbital degeneracy
Peter Blaha
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2011/10/12
[Wien] question about ISPLIT and orbital degeneracy
Georg Eickerling
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2011/10/12
[Wien] A general question about Spin Polarized calculation/materials
Gerhard Fecher
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2011/10/11
[Wien] initial spin split
Peter Blaha
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2011/10/11
[Wien] initial spin split
Yundi Quan
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2011/10/11
[Wien] Some Question about Wien2K Package!
ahmad gharleghi
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2011/10/11
[Wien] question about transition core-core
Peter Blaha
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2011/10/10
[Wien] question about transition core-core
g...@famaf.unc.edu.ar
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2011/10/09
[Wien] bug in DOS input file?
Viktor Zano
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2011/10/09
[Wien] bug in DOS input file?
Eamon McDermott
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2011/10/09
[Wien] bug in DOS input file?
Viktor Zano
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2011/10/08
[Wien] how to enhance the plot DOS numbers under w2web
Aboudi Hamouda
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2011/10/08
[Wien] Problem with SO calculations
Irina Shikhman
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2011/10/08
[Wien] oscillator strength
Nirpendra Singh
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2011/10/07
[Wien] A general question about Spin Polarized calculation/materials
Qiwen YAO
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2011/10/07
[Wien] (no subject)
Malgorzata Bukala
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2011/10/07
[Wien] ERROR: negative position in rstruc. Please report
Peter Blaha
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2011/10/06
[Wien] A general question about Spin Polarized calculation/materials
Gerhard Fecher
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2011/10/06
[Wien] A general question about Spin Polarized calculation/materials
Qiwen YAO
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2011/10/06
[Wien] (no subject)
Parker, David S.
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2011/10/06
[Wien] ERROR: negative position in rstruc. Please report
Vargheese, Deenamma
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2011/10/06
[Wien] (no subject)
Malgorzata Bukala
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2011/10/05
[Wien] Problem with SO calculations
Peter Blaha
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2011/10/05
[Wien] Eigenvalue mix-up - large unit cells
Laurence Marks
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2011/10/05
[Wien] Eigenvalue mix-up - large unit cells
Parker, David S.
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2011/10/05
[Wien] Problem with SO calculations
Irina Shikhman
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2011/10/05
[Wien] Magnetic order with hybrids and DFT+U
David Tompsett
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2011/10/04
[Wien] spin texture?
Gerhard Fecher
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2011/10/04
[Wien] spin texture?
Ruben Weht
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2011/10/04
[Wien] Symmetry operation issue
Vargheese, Deenamma
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2011/10/04
[Wien] Symmetry operation issue
Ghosh SUDDHASATTWA
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2011/10/04
[Wien] Symmetry operation issue
Vargheese, Deenamma
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2011/10/03
[Wien] Elastic constants for Orthorhombic Case (128 atomSupercell)
Rostam Golesorkhtabar
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2011/10/02
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
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2011/10/02
[Wien] 'LOPW' - Plane waves exhausted
Gerhard Fecher
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2011/10/02
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
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2011/10/02
[Wien] Problem with SO calculations
Gerhard Fecher
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2011/10/02
[Wien] 'LOPW' - Plane waves exhausted
Gerhard Fecher
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2011/10/01
[Wien] Elastic constants for Orthorhombic Case (128 atomSupercell)
Ghosh SUDDHASATTWA
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2011/10/01
[Wien] Elastic constants for Orthorhombic Case (128 atom Supercell)
Rostam Golesorkhtabar
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2011/10/01
[Wien] spin texture?
Yundi Quan
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2011/10/01
[Wien] Elastic constants for Orthorhombic Case (128 atom Supercell)
Ghosh SUDDHASATTWA
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2011/10/01
[Wien] spin texture?
Gerhard Fecher
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2011/09/30
[Wien] spin texture?
Ruben Weht
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2011/09/30
[Wien] spin texture?
Yundi Quan
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2011/09/30
[Wien] spin texture?
Ruben Weht
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2011/09/30
[Wien] Problem with SO calculations
Ирина Шихман
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2011/09/28
[Wien] help pl.
M. Koshino
-
2011/09/27
[Wien] phonon calculation
Peter Blaha
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2011/09/27
[Wien] phonon calculation
Yundi Quan
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2011/09/27
[Wien] Problems with occupancy
Gerhard Fecher
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2011/09/27
[Wien] Problems with occupancy
Che Franklin N.
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2011/09/27
[Wien] phonon calculation
Laurence Marks
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2011/09/27
[Wien] phonon calculation
Yundi Quan