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[Wien] lapw1 problem with PbTiO3
viel...@onid.orst.edu
[Wien] format 699 in lapw0.F
Gilles Hug
[Wien] format 699 in lapw0.F
Peter Blaha
[Wien] modified Becke-Johnson potential
kimia abedi
[Wien] modified Becke-Johnson potential
t...@theochem.tuwien.ac.at
[Wien] modified Becke-Johnson potential
Peter Blaha
[Wien] m missing
王静
[Wien] m missing
Peter Blaha
[Wien] Fundamental question on constraint dft calculation of effective U by Madsen and Novak
Dat Do
[Wien] Fundamental question on constraint dft calculation of effective U by Madsen and Novak
Peter Blaha
[Wien] dipole transition matrix element
Nikolay
[Wien] dipole transition matrix element
Robert Laskowski
[Wien] dipole transition matrix element
Nikolay
[Wien] dipole transition matrix element
Huolin Xin
[Wien] dipole transition matrix element
Kevin Jorissen
[Wien] dipole transition matrix element
Peter Blaha
[Wien] dipole transition matrix element
Nikolay
[Wien] Fundamental Question of Spin-orbit
Chiung-Yuan Lin
[Wien] Problem with "Volumen Optimization "
Jose Alfredo Camargo Martinez
[Wien] Problem with "Volumen Optimization "
Ghosh SUDDHASATTWA
[Wien] x symmetry -up ERROR: negative position in rstruc
Dat Do
[Wien] x symmetry -up ERROR: negative position in rstruc
Peter Blaha
[Wien] x symmetry -up ERROR: negative position in rstruc
Dat Do
[Wien] Re Re: compile wien2k_11.1 in mkl8.1, fortcom error
ZhenChen
[Wien] incorrect band gap
TUX naughty
[Wien] incorrect band gap
Peter Blaha
[Wien] incorrect band gap
TUX naughty
[Wien] incorrect band gap
Peter Blaha
[Wien] incorrect band gap
TUX naughty
[Wien] Guidance about Apple Mac Pro
Saeed Saeed
[Wien] Guidance about Apple Mac Pro
Peter Blaha
[Wien] Guidance about Apple Mac Pro
"Paweł Leśniak"
[Wien] Guidance about Apple Mac Pro
Kevin Jorissen
[Wien] plotting difficulty
AJAY SINGH VERMA
[Wien] plotting difficulty
AJAY SINGH VERMA
[Wien] plotting difficulty
Peter Blaha
[Wien] plotting difficulty
Vit
[Wien] lapw1 failed
yangd...@aps.anl.gov
[Wien] lapw1 failed
Laurence Marks
[Wien] lapw1 failed
Yang Ding
[Wien] lapw1 failed
Peter Blaha
[Wien] Data Bandstruture
Jose Alfredo Camargo Martinez
[Wien] Data Bandstruture
Rocquefelte
[Wien] Data Bandstruture
Hajari Nejatii
[Wien] Data Bandstruture
tarun maurya
[Wien] I need your help
水牧 仁一朗
[Wien] I need your help
Peter Blaha
[Wien] I need your help
水牧 仁一朗
[Wien] I need your help
Peter Blaha
[Wien] PassWord
水牧 仁一朗
[Wien] PassWord
Rocquefelte
[Wien] PassWord
水牧 仁一朗
[Wien] symmetry reduction and density matrix inverted
王静
[Wien] symmetry reduction and density matrix inverted
Rocquefelte
[Wien] symmetry reduction and density matrix inverted
王静
[Wien] symmetry reduction and density matrix inverted calculation
王静
[Wien] symmetry reduction and density matrix inverted calculation
Rocquefelte
[Wien] [SPAM?] Problem with 185 space group
hossien rahnama
[Wien] [SPAM?] Problem with 185 space group
Laurence Marks
[Wien] Error running SCF
Jose Alfredo Camargo Martinez
[Wien] Error running SCF
Peter Blaha
[Wien] Problems with convergence with LDA+U calculations including spin-orbit coupling
Marcos Veríssimo Alves
[Wien] Problems with convergence with LDA+U calculations including spin-orbit coupling
Peter Blaha
[Wien] Problems with convergence with LDA+U calculations including spin-orbit coupling
Laurence Marks
[Wien] Problems with convergence with LDA+U calculations including spin-orbit coupling
Marcos Veríssimo Alves
[Wien] PhD position in Rennes (France)
Rocquefelte
[Wien] Error while runninig SCF
SANJAY KUMAR SINGH
[Wien] Error while runninig SCF
Gerhard Fecher
[Wien] struct2cif
Nirpendra Singh
[Wien] struct2cif
Peter Blaha
[Wien] error in x nn
Nirpendra Singh
[Wien] weird behaviour between different machines
pascal boulet
[Wien] weird behaviour between different machines
Laurence Marks
[Wien] problem regarding supercell
Pooja Rana
[Wien] How to Search WIEN2k Archive to see if my question previously answered?
Ghoghnous
[Wien] band character plotting
lisa.siggel...@lrz.tu-muenchen.de
[Wien] band character plotting
Peter Blaha
[Wien] question about plotting in wien2k
bruce.tian
[Wien] question about plotting in wien2k
pascal boulet
[Wien] mbj potential in the case without inversion symmetry
ali ghafari
[Wien] mbj potential in the case without inversion symmetry
Peter Blaha
[Wien] mbj potential in the case without inversion symmetry
ali ghafari
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
ZhenChen
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
Laurence Marks
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
Peter Blaha
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
ZhenChen
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
Laurence Marks
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
Gerhard Fecher
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
ZhenChen
[Wien] Interesting effect of RLO's with Spin Orbit
David Tompsett
[Wien] Interesting effect of RLO's with Spin Orbit
Peter Blaha
[Wien] Different Rmt's for atoms of one type
Maxim Rakitin
[Wien] Different Rmt's for atoms of one type
Евгения Каблиман
[Wien] Different Rmt's for atoms of one type
Maxim Rakitin
[Wien] Different Rmt's for atoms of one type
Laurence Marks
[Wien] Different Rmt's for atoms of one type
Евгения Каблиман
[Wien] Different Rmt's for atoms of one type
Maxim Rakitin
[Wien] Different Rmt's for atoms of one type
Laurence Marks
[Wien] Different Rmt's for atoms of one type
Maxim Rakitin
[Wien] band gap problem for optic calculation
Tomohiko Tasaka
[Wien] band gap problem for optic calculation
Rocquefelte
[Wien] please help me
Hasti Vahedi
[Wien] please help me
hossien rahnama
[Wien] please help me
shahram solimanpour
[Wien] [WIEN] pairHess Error
SANJAY KUMAR SINGH
[Wien] [WIEN] pairHess Error
Laurence Marks
[Wien] pairHess Error
SANJAY KUMAR SINGH
[Wien] pairHess Error
Laurence Marks
[Wien] pairHess Error
SANJAY KUMAR SINGH
[Wien] pairHess Error
Peter Blaha
[Wien] error in dstart
Pooja Rana
[Wien] error in dstart
Laurence Marks
[Wien] Enthalpy of formation of K2UCl5
Ghosh SUDDHASATTWA
[Wien] Wien 2K latest version runtime error
William Oquendo
[Wien] Wien 2K latest version runtime error
David Sedmidubsky
[Wien] Wien 2K latest version runtime error
Laurence Marks
[Wien] Magnetic dipole term and Orbital polarization
gimb...@cemes.fr
[Wien] Magnetic dipole term and Orbital polarization
Pavel Novak
[Wien] Magnetic dipole term and Orbital polarization
gimb...@cemes.fr
[Wien] Magnetic dipole term and Orbital polarization
gimb...@cemes.fr
[Wien] Magnetic dipole term and Orbital polarization
Pavel Novak
[Wien] Magnetic dipole term and Orbital polarization
Peter Blaha
[Wien] e-mails
Renata Wentzcovitch
[Wien] e-mails
Peter Blaha
[Wien] hup: Command not found. Invalid null command.
AJAY SINGH VERMA
[Wien] hup: Command not found. Invalid null command.
Peter Blaha
[Wien] hup: Command not found. Invalid null command.
AJAY SINGH VERMA
[Wien] hup: Command not found. Invalid null command.
Stefaan Cottenier
[Wien] hup: Command not found. Invalid null command.
AJAY SINGH VERMA
[Wien] hup: Command not found. Invalid null command.
Stefaan Cottenier
[Wien] hup: Command not found. Invalid null command.
AJAY SINGH VERMA
[Wien] hup: Command not found. Invalid null command.
Stefaan Cottenier
[Wien] hup: Command not found. Invalid null command.
Peter Blaha
[Wien] Hup command not found (invalid null command
AJAY SINGH VERMA
[Wien] invalid null comand
Иванов Николай
[Wien] invalid null comand
Vit
[Wien] binaminkhan binaminkhan invites you to use Boxbe
binaminkhan binaminkhan
[Wien] Error while running 11.1
Vit
[Wien] Error while running 11.1
Peter Blaha
[Wien] Wien2k 11.1 compilation error.
Vit
[Wien] Wien2k 11.1 compilation error.
Peter Blaha
[Wien] Wien2k 11.1 compilation error.
Vit
[Wien] Iftikhar Ahmad invites you to use Boxbe
Iftikhar Ahmad
[Wien] WIEN2k Version 11.1
Peter Blaha
[Wien] Piezoelectric properties
Oleg Rubel
[Wien] Piezoelectric properties
Peter Blaha
[Wien] MBJ potential for charged cells ...
Vladimir Timochevski
[Wien] MBJ potential for charged cells ...
Peter Blaha
[Wien] MBJ potential for charged cells ...
Vladimir Timochevski
[Wien] Piezoelectric properties
Oleg Rubel
[Wien] Piezoelectric properties
Peter Blaha
[Wien] Piezoelectric properties
Oleg Rubel
[Wien] Suggestions on Size of SuperCell for phonon Calculations
Ghosh SUDDHASATTWA
[Wien] Suggestions on Size of SuperCell for phonon Calculations
Peter Blaha
[Wien] modified BJ potential calc.
davgumo
[Wien] modified BJ potential calc.
Peter Blaha
[Wien] modified BJ potential calc.
davgumo
[Wien] modified BJ potential calc.
t...@theochem.tuwien.ac.at
[Wien] modified BJ potential calc.
Peter Blaha
[Wien] modified BJ potential calc.
davgumo
[Wien] Suggestions on Size of SuperCell for phonon Calculations
Ghosh SUDDHASATTWA
[Wien] Suggestions on Size of SuperCell for phonon Calculations
Vojtech Chlan
[Wien] Suggestions on Size of SuperCell for phonon Calculations
Ghosh SUDDHASATTWA
[Wien] convert
MAHDI SALMANI HIRMAND
[Wien] convert
Tomas Kana
[Wien] intraband contribution for optical calculation
Tomohiko Tasaka
[Wien] intraband contribution for optical calculation
Peter Blaha
[Wien] K-list bug in xcrysden
Peter Blaha
[Wien] Projected bulk bandstructure
MingWenmei
[Wien] Projected bulk bandstructure
Peter Blaha
[Wien] Projected bulk bandstructure
MingWenmei
[Wien] Projected bulk bandstructure
Peter Blaha
[Wien] increase NGAU
lisa.siggel...@lrz.tu-muenchen.de
[Wien] increase NGAU
Peter Blaha
[Wien] increase NGAU
lisa.siggel...@lrz.tu-muenchen.de
[Wien] antiferromagnetic problem
pankaj srivastava
[Wien] antiferromagnetic problem
Peter Blaha
[Wien] Ifort 12 dosplot
ei...@iflysib.unlp.edu.ar
[Wien] Ifort 12 dosplot
viel...@onid.orst.edu
[Wien] cif2struct error message
viel...@onid.orst.edu
[Wien] cif2struct error message
Laurence Marks
[Wien] cif2struct error message
viel...@onid.orst.edu
[Wien] cif2struct error message
Laurence Marks
[Wien] MPI Strategy
David Tompsett
[Wien] MPI Strategy
Peter Blaha
[Wien] wien2k and surfaces
César de la Fuente
[Wien] wien2k and surfaces
Laurence Marks
[Wien] wien2k and surfaces
Peter Blaha
[Wien] MPI Strategy
Laurence Marks
[Wien] MAE
Ирина Шихман
[Wien] MAE
Ирина Шихман
[Wien] MAE
Ирина Шихман
[Wien] MAE
pieper
[Wien] MAE
Peter Blaha
[Wien] MAE
pieper
[Wien] MAE
Ирина Шихман
[Wien] x lapw2 -p -qtl fails with shared memory configuration
Ulrich Wedig
[Wien] x lapw2 -p -qtl fails with shared memory configuration
Ulrich Wedig
[Wien] change of structure during run_lapw
Tomas Kana
[Wien] change of structure during run_lapw
Laurence Marks
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