wien
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2011/05/18
[Wien] Limit in bandsup/dn.agr
Kamil Klier
2011/05/18
[Wien] exchange coupling constants calculations
Guillaume Radtke
2011/05/18
[Wien] exchange coupling constants calculations
Rocquefelte
2011/05/18
[Wien] No rule to make target `complex
Stefaan Cottenier
2011/05/18
[Wien] No rule to make target `complex
sufyan
2011/05/18
[Wien] error In source file qmix7.F
Peter Blaha
2011/05/18
[Wien] exchange coupling constants calculations
Linux PC
2011/05/18
[Wien] error In source file qmix7.F
mouhamed mahdi
2011/05/18
[Wien] elastic constants of tetragonal structure
shiyaojun
2011/05/17
[Wien] Total Energy Calculations involving Chlorides
Ghosh SUDDHASATTWA
2011/05/17
[Wien] exchange coupling constants calculations
xavier.rocquefe...@cnrs-imn.fr
2011/05/17
[Wien] Volume Optimization under Constant External Pressure (3 GPa to 30 GPa)
Gerhard Fecher
2011/05/17
[Wien] BoltzTrap
Gerhard Fecher
2011/05/17
[Wien] Volume Optimization under Constant External Pressure (3 GPa to 30 GPa)
Ghosh SUDDHASATTWA
2011/05/17
[Wien] BoltzTrap
Ramkumar Thapa
2011/05/17
[Wien] exchange coupling constants calculations
Linux PC
2011/05/17
[Wien] problem in lapw1
Pooja Rana
2011/05/17
[Wien] Wien2k workshop at PennState
Peter Blaha
2011/05/16
[Wien] charge density of a single atom
Peter Blaha
2011/05/16
[Wien] A question on spin-orbit calculations
Peter Blaha
2011/05/16
[Wien] charge density of a single atom
Dr. Sharat Chandra
2011/05/16
[Wien] A question on spin-orbit calculations
Jyoti
2011/05/16
[Wien] why don't answer my question after three times sending it :(
Peter Blaha
2011/05/16
[Wien] BoltzTrap
Gerhard Fecher
2011/05/16
[Wien] crystal indices and bandstructure route of NiO
Peter Blaha
2011/05/16
[Wien] BoltzTrap
Peter Blaha
2011/05/16
[Wien] BoltzTrap
Peter Blaha
2011/05/15
[Wien] charge density of a single atom
Dr. Sharat Chandra
2011/05/15
[Wien] BoltzTrap
Gerhard Fecher
2011/05/15
[Wien] BoltzTrap
Ramkumar Thapa
2011/05/15
[Wien] Error in Parallel LAPW1 with Fe2O3
Laurence Marks
2011/05/15
[Wien] Error in Parallel LAPW1 with Fe2O3
Ghosh SUDDHASATTWA
2011/05/15
[Wien] BoltzTrap
Mojtaba Zareii
2011/05/15
[Wien] Error in Parallel LAPW1 with Fe2O3
Xiao Ting
2011/05/15
[Wien] Enthalpy of formation of chlorides
Ghosh SUDDHASATTWA
2011/05/15
[Wien] Enthalpy of formation of chlorides
Gerhard Fecher
2011/05/15
[Wien] Enthalpy of formation of chlorides
Ghosh SUDDHASATTWA
2011/05/14
[Wien] crystal indices and bandstructure route of NiO
bruce.tian
2011/05/14
[Wien] why don't answer my question after three times sending it :(
Rocquefelte
2011/05/14
[Wien] why don't answer my question after three times sending it :(
majid moazamiii
2011/05/14
[Wien] PassWord
水牧 仁一朗
2011/05/14
[Wien] PassWord
Rocquefelte
2011/05/14
[Wien] PassWord
水牧 仁一朗
2011/05/14
[Wien] compilation
Saad Omran
2011/05/14
[Wien] SP and without SP
t...@theochem.tuwien.ac.at
2011/05/14
[Wien] SP and without SP
ali ghafari
2011/05/13
[Wien] compilation
Ramkumar Thapa
2011/05/13
[Wien] Fwd: an error in wien2k
majid moazamiii
2011/05/13
[Wien] compilation
Saad Omran
2011/05/13
[Wien] MSR1a
Laurence Marks
2011/05/13
[Wien] for the second time problem with w2web"Error - Failed to open file"
Peter Blaha
2011/05/13
[Wien] for the second time problem with w2web"Error - Failed to open file"
sufyan
2011/05/13
[Wien] R0 for atom -3 Z= 33.00 too big
Peter Blaha
2011/05/12
[Wien] compilation
フォンス ポール
2011/05/12
[Wien] an error in wien2k
leila moazzami
2011/05/12
[Wien] I need your help
Peter Blaha
2011/05/12
[Wien] lapw1 problem with PbTiO3
viel...@onid.orst.edu
2011/05/12
[Wien] R0 for atom -3 Z= 33.00 too big
Jakob Kanter
2011/05/12
[Wien] lapw1 problem with PbTiO3
viel...@onid.orst.edu
2011/05/12
[Wien] compilation
Kulpreet Virdi
2011/05/12
[Wien] compilation
Saad Omran
2011/05/12
[Wien] I need your help
水牧 仁一朗
2011/05/12
[Wien] lapw1 problem with PbTiO3
Peter Blaha
2011/05/11
[Wien] lapw1 problem with PbTiO3
viel...@onid.orst.edu
2011/05/10
[Wien] lapw1 problem with PbTiO3
Peter Blaha
2011/05/10
[Wien] lapw1 problem with PbTiO3
viel...@onid.orst.edu
2011/05/09
[Wien] format 699 in lapw0.F
Peter Blaha
2011/05/09
[Wien] format 699 in lapw0.F
Gilles Hug
2011/05/09
[Wien] dipole transition matrix element
Nikolay
2011/05/09
[Wien] dipole transition matrix element
Peter Blaha
2011/05/08
[Wien] Fundamental question on constraint dft calculation of effective U by Madsen and Novak
Peter Blaha
2011/05/08
[Wien] m missing
Peter Blaha
2011/05/08
[Wien] modified Becke-Johnson potential
Peter Blaha
2011/05/08
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
ZhenChen
2011/05/08
[Wien] modified Becke-Johnson potential
t...@theochem.tuwien.ac.at
2011/05/08
[Wien] modified Becke-Johnson potential
kimia abedi
2011/05/08
[Wien] volume optimization
Matthew Stream
2011/05/08
[Wien] volume optimization
t...@theochem.tuwien.ac.at
2011/05/08
[Wien] volume optimization
Matthew Stream
2011/05/08
[Wien] volume optimization
t...@theochem.tuwien.ac.at
2011/05/07
[Wien] volume optimization
Matthew Stream
2011/05/07
[Wien] m missing
王静
2011/05/06
[Wien] Fundamental question on constraint dft calculation of effective U by Madsen and Novak
Dat Do
2011/05/06
[Wien] dipole transition matrix element
Kevin Jorissen
2011/05/06
[Wien] x symmetry -up ERROR: negative position in rstruc
Dat Do
2011/05/06
[Wien] dipole transition matrix element
Huolin Xin
2011/05/06
[Wien] dipole transition matrix element
Nikolay
2011/05/06
[Wien] dipole transition matrix element
Robert Laskowski
2011/05/06
[Wien] dipole transition matrix element
Nikolay
2011/05/06
[Wien] Fundamental Question of Spin-orbit
Chiung-Yuan Lin
2011/05/05
[Wien] Problem with "Volumen Optimization "
Ghosh SUDDHASATTWA
2011/05/05
[Wien] Problem with "Volumen Optimization "
Jose Alfredo Camargo Martinez
2011/05/04
[Wien] orbital moment
Md. Fhokrul Islam
2011/05/04
[Wien] orbital moment
Peter Blaha
2011/05/03
[Wien] x symmetry -up ERROR: negative position in rstruc
Peter Blaha
2011/05/03
[Wien] x symmetry -up ERROR: negative position in rstruc
Dat Do
2011/05/03
[Wien] orbital moment
Md. Fhokrul Islam
2011/05/03
[Wien] MAE
Ирина Шихман
2011/05/02
[Wien] symmetry reduction and density matrix inverted
王静
2011/05/02
[Wien] incorrect band gap
Peter Blaha
2011/05/02
[Wien] Data Bandstruture
tarun maurya
2011/05/02
[Wien] incorrect band gap
TUX naughty
2011/05/02
[Wien] incorrect band gap
TUX naughty
2011/05/02
[Wien] orbital moment
Peter Blaha
2011/05/02
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
Gerhard Fecher
2011/05/02
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
Laurence Marks
2011/05/02
[Wien] Re Re: compile wien2k_11.1 in mkl8.1, fortcom error
ZhenChen
2011/05/02
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
ZhenChen
2011/05/02
[Wien] orbital moment
Md. Fhokrul Islam
2011/05/02
[Wien] incorrect band gap
Peter Blaha
2011/05/02
[Wien] incorrect band gap
TUX naughty
2011/05/01
[Wien] plotting difficulty
Vit
2011/04/30
[Wien] Guidance about Apple Mac Pro
Kevin Jorissen
2011/04/30
[Wien] lapw1 failed
Peter Blaha
2011/04/30
[Wien] plotting difficulty
Peter Blaha
2011/04/30
[Wien] HI
Peter Blaha
2011/04/30
[Wien] Data Bandstruture
Hajari Nejatii
2011/04/30
[Wien] HI
Rajagopalan Mathrubutham
2011/04/29
[Wien] Guidance about Apple Mac Pro
"Paweł Leśniak"
2011/04/29
[Wien] plotting difficulty
AJAY SINGH VERMA
2011/04/29
[Wien] Guidance about Apple Mac Pro
Peter Blaha
2011/04/29
[Wien] lapw1 failed
Yang Ding
2011/04/29
[Wien] Guidance about Apple Mac Pro
Saeed Saeed
2011/04/29
[Wien] (no subject)
Saeed Saeed
2011/04/28
[Wien] plotting difficulty
AJAY SINGH VERMA
2011/04/28
[Wien] I need your help
Peter Blaha
2011/04/28
[Wien] Data Bandstruture
Rocquefelte
2011/04/28
[Wien] lapw1 failed
Laurence Marks
2011/04/28
[Wien] lapw1 failed
yangd...@aps.anl.gov
2011/04/28
[Wien] Data Bandstruture
Jose Alfredo Camargo Martinez
2011/04/28
[Wien] symmetry reduction and density matrix inverted
Rocquefelte
2011/04/28
[Wien] I need your help
水牧 仁一朗
2011/04/28
[Wien] symmetry reduction and density matrix inverted
王静
2011/04/27
[Wien] symmetry reduction and density matrix inverted calculation
Rocquefelte
2011/04/27
[Wien] symmetry reduction and density matrix inverted calculation
王静
2011/04/27
[Wien] [SPAM?] Problem with 185 space group
Laurence Marks
2011/04/27
[Wien] [SPAM?] Problem with 185 space group
hossien rahnama
2011/04/27
[Wien] Problems with convergence with LDA+U calculations including spin-orbit coupling
Marcos Veríssimo Alves
2011/04/26
[Wien] MAE
pieper
2011/04/26
[Wien] MAE
Peter Blaha
2011/04/26
[Wien] Error running SCF
Peter Blaha
2011/04/25
[Wien] Error running SCF
Jose Alfredo Camargo Martinez
2011/04/25
[Wien] Problems with convergence with LDA+U calculations including spin-orbit coupling
Laurence Marks
2011/04/25
[Wien] Problems with convergence with LDA+U calculations including spin-orbit coupling
Peter Blaha
2011/04/25
[Wien] Problems with convergence with LDA+U calculations including spin-orbit coupling
Marcos Veríssimo Alves
2011/04/25
[Wien] Error while runninig SCF
Gerhard Fecher
2011/04/25
[Wien] PhD position in Rennes (France)
Rocquefelte
2011/04/25
[Wien] Error while runninig SCF
SANJAY KUMAR SINGH
2011/04/25
[Wien] struct2cif
Peter Blaha
2011/04/25
[Wien] struct2cif
Nirpendra Singh
2011/04/25
[Wien] error in x nn
Nirpendra Singh
2011/04/23
[Wien] weird behaviour between different machines
Laurence Marks
2011/04/23
[Wien] weird behaviour between different machines
pascal boulet
2011/04/23
[Wien] mbj potential in the case without inversion symmetry
ali ghafari
2011/04/23
[Wien] problem regarding supercell
Pooja Rana
2011/04/23
[Wien] How to Search WIEN2k Archive to see if my question previously answered?
Ghoghnous
2011/04/23
[Wien] please help me
hossien rahnama
2011/04/22
[Wien] Interesting effect of RLO's with Spin Orbit
Peter Blaha
2011/04/22
[Wien] mbj potential in the case without inversion symmetry
Peter Blaha
2011/04/22
[Wien] band character plotting
Peter Blaha
2011/04/22
[Wien] band character plotting
lisa.siggel...@lrz.tu-muenchen.de
2011/04/22
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
Peter Blaha
2011/04/22
[Wien] question about plotting in wien2k
pascal boulet
2011/04/22
[Wien] question about plotting in wien2k
bruce.tian
2011/04/22
[Wien] mbj potential in the case without inversion symmetry
ali ghafari
2011/04/21
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
Laurence Marks
2011/04/21
[Wien] compile wien2k_11.1 in mkl8.1, fortcom error
ZhenChen
2011/04/21
[Wien] Different Rmt's for atoms of one type
Maxim Rakitin
2011/04/21
[Wien] Different Rmt's for atoms of one type
Laurence Marks
2011/04/21
[Wien] Different Rmt's for atoms of one type
Maxim Rakitin
2011/04/21
[Wien] Different Rmt's for atoms of one type
Евгения Каблиман
2011/04/21
[Wien] Different Rmt's for atoms of one type
Laurence Marks
2011/04/21
[Wien] Different Rmt's for atoms of one type
Maxim Rakitin
2011/04/21
[Wien] Interesting effect of RLO's with Spin Orbit
David Tompsett
2011/04/21
[Wien] MAE
pieper
2011/04/21
[Wien] Different Rmt's for atoms of one type
Евгения Каблиман
2011/04/21
[Wien] Different Rmt's for atoms of one type
Maxim Rakitin
2011/04/20
[Wien] MAE
Ирина Шихман
2011/04/20
[Wien] MAE
Ирина Шихман
2011/04/20
[Wien] band gap problem for optic calculation
Rocquefelte
2011/04/20
[Wien] band gap problem for optic calculation
Tomohiko Tasaka
2011/04/19
[Wien] Bethe-Salpeter Equation
Peter Blaha
2011/04/19
[Wien] Bethe-Salpeter Equation
Osama Yassin
2011/04/19
[Wien] please help me
Hasti Vahedi
2011/04/17
[Wien] pairHess Error
Peter Blaha
2011/04/17
[Wien] pairHess Error
SANJAY KUMAR SINGH
2011/04/17
[Wien] [WIEN] pairHess Error
Laurence Marks
2011/04/17
[Wien] [WIEN] pairHess Error
SANJAY KUMAR SINGH
2011/04/17
[Wien] pairHess Error
Laurence Marks
2011/04/16
[Wien] pairHess Error
SANJAY KUMAR SINGH
2011/04/16
[Wien] error in dstart
Laurence Marks
2011/04/16
[Wien] error in dstart
Pooja Rana
2011/04/15
[Wien] MBJ potential for charged cells ...
Vladimir Timochevski
2011/04/15
[Wien] Piezoelectric properties
Oleg Rubel
2011/04/15
[Wien] Enthalpy of formation of K2UCl5
Ghosh SUDDHASATTWA
2011/04/15
[Wien] MBJ potential for charged cells ...
Peter Blaha
2011/04/15
[Wien] Piezoelectric properties
Peter Blaha
2011/04/14
[Wien] Piezoelectric properties
Oleg Rubel
2011/04/14
[Wien] MBJ potential for charged cells ...
Vladimir Timochevski
2011/04/14
[Wien] Piezoelectric properties
Peter Blaha
Earlier messages
Later messages