Messages by Date
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2011/06/13
[Wien] problem during visualisation supercell structure
yasir saeed
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2011/06/13
[Wien] problem during visualisation supercell structure
shamik chakrabarti
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2011/06/13
[Wien] problem during visualisation supercell structure
Pooja Rana
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2011/06/10
[Wien] force theorem
Jihoon Park
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2011/06/09
[Wien] Boltztrap
Peter Blaha
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2011/06/09
[Wien] bandstructure plot of AFMII NiO
bruce.tian
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2011/06/09
[Wien] Boltztrap
Ramkumar Thapa
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2011/06/09
[Wien] Installation of Phonon511
jianguang wang
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2011/06/09
[Wien] Two questions regarding volume optimization
shamik chakrabarti
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2011/06/09
[Wien] '12main' - QTL-B.GT.15., Ghostbands, check scf files
Peter Blaha
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2011/06/09
[Wien] '12main' - QTL-B.GT.15., Ghostbands, check scf files
Jihoon Park
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2011/06/09
[Wien] Boltztrap
hazem salem
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2011/06/09
[Wien] K-point parallel with MPI
moshi uddin
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2011/06/09
[Wien] K-point parallel with MPI
Peter Blaha
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2011/06/09
[Wien] K-point parallel with MPI
moshi uddin
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2011/06/09
[Wien] About optic code in WIEN2k_11.1 (Release 5/4/2011)
Sharat Chandra
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2011/06/09
[Wien] About optic code in WIEN2k_11.1 (Release 5/4/2011)
Peter Blaha
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2011/06/09
[Wien] K-point parallel with MPI
Peter Blaha
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2011/06/09
[Wien] a perpetual request of the password
Peter Blaha
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2011/06/09
[Wien] a perpetual request of the password
Peter Blaha
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2011/06/09
[Wien] K-point parallel with MPI
David Tompsett
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2011/06/09
[Wien] a perpetual request of the password
Laurence Marks
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2011/06/09
[Wien] a perpetual request of the password
Karen tim
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2011/06/09
[Wien] About optic code in WIEN2k_11.1 (Release 5/4/2011)
Dr. Sharat Chandra
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2011/06/08
[Wien] Two questions regarding volume optimization
shamik chakrabarti
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2011/06/08
[Wien] Optimize Error
TUX naughty
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2011/06/08
[Wien] GGA-EV
t...@theochem.tuwien.ac.at
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2011/06/08
[Wien] GGA-EV
sudhir kumar
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2011/06/07
[Wien] compilation aborted for lap_bp.f (code 1)
Ramkumar Thapa
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2011/06/07
[Wien] how to configure my .machine file
Karen tim
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2011/06/07
[Wien] GGA-EV
Peter Blaha
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2011/06/07
[Wien] GGA-EV
Gerhard Fecher
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2011/06/07
[Wien] GGA-EV
t...@theochem.tuwien.ac.at
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2011/06/07
[Wien] compilation aborted for lap_bp.f (code 1)
Gerhard Fecher
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2011/06/07
[Wien] GGA-EV
AJAY SINGH VERMA
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2011/06/07
[Wien] compilation aborted for lap_bp.f (code 1)
shamik chakrabarti
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2011/06/06
[Wien] pondering wien2kMPI performance
Robert Laskowski
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2011/06/06
[Wien] No lines in spaghetti
Sanjeev K. Srivastava
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2011/06/06
[Wien] pondering wien2kMPI performance
Peter Blaha
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2011/06/06
[Wien] No lines in spaghetti
Sanjeev K. Srivastava
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2011/06/06
[Wien] pondering wien2kMPI performance
Kevin Jorissen
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2011/06/06
[Wien] error during DOS calculation
Gerhard Fecher
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2011/06/06
[Wien] Force theorem for MAE
Jihoon Park
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2011/06/06
[Wien] Plane-wave cutoff in W2K
Marcos Veríssimo Alves
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2011/06/06
[Wien] lapw2
Laurence Marks
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2011/06/06
[Wien] lapw2
Stefaan Cottenier
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2011/06/06
[Wien] lapw2
van...@urisan.tche.br
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2011/06/06
[Wien] Plane-wave cutoff in W2K
Peter Blaha
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2011/06/06
[Wien] updating to wien2k_11
Gerhard Fecher
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2011/06/06
[Wien] updating to wien2k_11
mouhamed mahdi
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2011/06/06
[Wien] Plane-wave cutoff in W2K
Marcos Veríssimo Alves
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2011/06/06
[Wien] A question regarding a calculation for a 56 atoms unit cell
Shamik Chakrabarti
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2011/06/06
[Wien] error during DOS calculation
shamik chakrabarti
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2011/06/06
[Wien] A question regarding a calculation for a 56 atoms unit cell
shamik chakrabarti
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2011/06/06
[Wien] A question regarding a calculation for a 56 atoms unit cell
Peter Blaha
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2011/06/05
[Wien] A question regarding a calculation for a 56 atoms unit cell
Peter Blaha
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2011/06/05
[Wien] error during DOS calculation
Peter Blaha
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2011/06/05
[Wien] A question regarding a calculation for a 56 atoms unit cell
shamik chakrabarti
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2011/06/05
[Wien] error during DOS calculation
shamik chakrabarti
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2011/06/04
[Wien] error during DOS calculation
Peter Blaha
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2011/06/04
[Wien] error during DOS calculation
shamik chakrabarti
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2011/06/04
[Wien] Magnetic material relaxation, RMT, MAE calculations
Jihoon Park
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2011/06/04
[Wien] Magnetic properties or 5d metals
Pablo de la Mora
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2011/06/04
[Wien] Magnetic material relaxation, RMT, MAE calculations
Gerhard Fecher
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2011/06/03
[Wien] Magnetic material relaxation, RMT, MAE calculations
Stefaan Cottenier
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2011/06/03
[Wien] Where is Orbital moment?
Stefaan Cottenier
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2011/06/03
[Wien] lapw2
Stefaan Cottenier
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2011/06/03
[Wien] Volume optimization and Struct File
Stefaan Cottenier
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2011/06/03
[Wien] Warning in lapw1
Laurence Marks
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2011/06/03
[Wien] Magnetic material relaxation, RMT, MAE calculations
Jihoon Park
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2011/06/03
[Wien] Where is Orbital moment?
Jihoon Park
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2011/06/03
[Wien] MAE calculation
Jihoon Park
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2011/06/03
[Wien] lapw2
van...@urisan.tche.br
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2011/06/03
[Wien] Volume optimization and Struct File
Judy Cherian
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2011/06/03
[Wien] DOS
van...@urisan.tche.br
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2011/06/03
[Wien] Magnetic properties or 5d metals
Peter Blaha
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2011/06/03
[Wien] Warning in lapw1
David Tompsett
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2011/06/03
[Wien] new optimization scheme
Peter Blaha
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2011/06/03
[Wien] new optimization scheme
Lyudmila V. Dobysheva
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2011/06/03
[Wien] Compilation problems on Red Hat 4 with G95/gfortran and gotolib
Peter Blaha
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2011/06/03
[Wien] Compilation problems on Red Hat 4 with gfortran and gotolib
Peter Blaha
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2011/06/03
[Wien] new optimization scheme
Laurence Marks
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2011/06/03
[Wien] new optimization scheme
Peter Blaha
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2011/06/03
[Wien] new optimization scheme
Laurence Marks
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2011/06/03
[Wien] bug for spaghetti for monoclinic CXZ lattices AND spin-orbit
Peter Blaha
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2011/06/03
[Wien] LAPW2 problem
Gerhard Fecher
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2011/06/03
[Wien] new optimization scheme
Lyudmila V. Dobysheva
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2011/06/02
[Wien] LAPW2 problem
AJAY SINGH VERMA
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2011/06/02
[Wien] LAPW2 problem
AJAY SINGH VERMA
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2011/06/02
[Wien] problem with lapw2
水牧 仁一朗
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2011/06/02
[Wien] Compilation problems on Red Hat 4 with G95/gfortran and gotolib
Osbaldeston, Ryan
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2011/06/02
[Wien] Compilation problems on Red Hat 4 with gfortran and gotolib
Osbaldeston, Ryan
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2011/06/02
[Wien] Magnetic properties or 5d metals
Pablo de la Mora
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2011/06/01
[Wien] Compilation problems on Red Hat 4 with G95/gfortran and gotolib
Laurence Marks
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2011/06/01
[Wien] Compilation problems on Red Hat 4 with G95/gfortran and gotolib
Osbaldeston, Ryan
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2011/06/01
[Wien] error In source file qmix7.F
mouhamed mahdi
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2011/06/01
[Wien] error during compilation (siteconfig_lapw)
shamik chakrabarti
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2011/06/01
[Wien] error during compilation (siteconfig_lapw)
Gerhard Fecher
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2011/05/31
[Wien] Fwd: error during DOS calculation
Ramkumar Thapa
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2011/05/31
[Wien] Fwd: error during DOS calculation
shamik chakrabarti
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2011/05/31
[Wien] error during compilation (siteconfig_lapw)
shamik chakrabarti
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2011/05/31
[Wien] error during compilation (siteconfig_lapw)
Ramkumar Thapa
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2011/05/31
[Wien] DSTART
Lyudmila V. Dobysheva
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2011/05/31
[Wien] w2web files
Peter Blaha
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2011/05/31
[Wien] DSTART
van...@urisan.tche.br
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2011/05/31
[Wien] w2web files
David Tompsett
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2011/05/31
[Wien] error during compilation (siteconfig_lapw)
Gerhard Fecher
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2011/05/31
[Wien] error during compilation (siteconfig_lapw)
Gerhard Fecher
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2011/05/31
[Wien] error during compilation (siteconfig_lapw)
Ramkumar Thapa
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2011/05/30
[Wien] error during compilation (siteconfig_lapw)
shamik chakrabarti
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2011/05/30
[Wien] error In source file qmix7.F
Laurence Marks
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2011/05/30
[Wien] total DOS at the interface
Karen tim
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2011/05/29
[Wien] error In source file qmix7.F
Peter Blaha
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2011/05/29
[Wien] argv1: subscript out of range
Ramkumar Thapa
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2011/05/29
[Wien] Installation Doubt...
Ramkumar Thapa
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2011/05/29
[Wien] Installation Doubt...
Ramkumar Thapa
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2011/05/29
[Wien] error during DOS calculation
shamik chakrabarti
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2011/05/29
[Wien] error In source file qmix7.F
mouhamed mahdi
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2011/05/29
[Wien] error In source file qmix7.F
mouhamed mahdi
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2011/05/29
[Wien] argv1: subscript out of range
yasir saeed
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2011/05/28
[Wien] error In source file qmix7.F
Peter Blaha
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2011/05/28
[Wien] Problem installing MPICH2
Laurence Marks
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2011/05/28
[Wien] Problem installing MPICH2
Laurence Marks
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2011/05/28
[Wien] Problem installing MPICH2
Jose Alfredo Camargo Martinez
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2011/05/28
[Wien] Problem installing MPICH2
Laurence Marks
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2011/05/28
[Wien] Problem installing MPICH2
Jose Alfredo Camargo Martinez
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2011/05/28
[Wien] error In source file qmix7.F
Laurence Marks
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2011/05/28
[Wien] Problem installing MPICH2
Robert Laskowski
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2011/05/28
[Wien] error In source file qmix7.F
mouhamed mahdi
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2011/05/27
[Wien] Problem installing MPICH2
Jose Alfredo Camargo Martinez
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2011/05/27
[Wien] argv1: subscript out of range
shamik chakrabarti
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2011/05/27
[Wien] electron density plot
shameem banu
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2011/05/26
[Wien] EFG
Stefaan Cottenier
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2011/05/26
[Wien] EFG
Rocquefelte
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2011/05/26
[Wien] EFG
van...@urisan.tche.br
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2011/05/26
[Wien] negative value of force FGL
Karen tim
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2011/05/26
[Wien] negative value of force FGL
Laurence Marks
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2011/05/26
[Wien] negative value of force FGL
Karen tim
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2011/05/26
[Wien] negative value of force FGL
Stefaan Cottenier
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2011/05/26
[Wien] negative value of force FGL
Karen tim
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2011/05/25
[Wien] spin-orbit coupling and magnetic anisotropy
Pavel Novak
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2011/05/25
[Wien] Optimization of volumen + TB-MBJ potential.
t...@theochem.tuwien.ac.at
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2011/05/25
[Wien] spin-orbit coupling and magnetic anisotropy
pieper
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2011/05/25
[Wien] Optimization of volumen + TB-MBJ potential.
Jose Alfredo Camargo Martinez
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2011/05/25
[Wien] Post-doctoral position - Bordeaux France
Carlier Dany
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2011/05/25
[Wien] errors WIEN2K
Tetyana Zayar
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2011/05/25
[Wien] errors WIEN2K
Peter Blaha
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2011/05/25
[Wien] errors WIEN2K
Karen tim
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2011/05/25
[Wien] Data meaning in WIEN2K
Karen tim
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2011/05/25
[Wien] Data meaning in WIEN2K
Stefaan Cottenier
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2011/05/25
[Wien] Data meaning in WIEN2K
Karen tim
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2011/05/25
[Wien] Installation Doubt...
M. Mahendran (Assoc Prof)
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2011/05/24
[Wien] runsp_lapw -ec 0.0001 -cc 0.0001 -NI
sufyan
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2011/05/24
[Wien] About the warning: R0 for atom 1 Z= 28.00 too big
Tetyana Zayar
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2011/05/24
[Wien] question about contribution of the orbital moment with spin-orbit coupling
Stefaan Cottenier
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2011/05/24
[Wien] question about contribution of the orbital moment with spin-orbit coupling
Aboudi Hamouda
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2011/05/24
[Wien] wrong MMT with LSDA ??
Gerhard Fecher
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2011/05/24
[Wien] wrong MMT with LSDA ??
Karen tim
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2011/05/24
[Wien] w2web cpu use
César de la Fuente
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2011/05/24
[Wien] supercell calculations
Pooja Rana
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2011/05/24
[Wien] w2web cpu use
Gerhard Fecher
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2011/05/24
[Wien] w2web cpu use
César de la Fuente
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2011/05/23
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Peter Blaha
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2011/05/23
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Peter Blaha
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2011/05/23
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Rostam Golesorkhtabar
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2011/05/23
[Wien] isomer shift
Stefaan Cottenier
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2011/05/23
[Wien] isomer shift
Ricardo Faccio
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2011/05/23
[Wien] Warning during init_lapw run
santu baidya
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2011/05/23
[Wien] isomer shift
van...@urisan.tche.br
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2011/05/23
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Peter Blaha
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2011/05/23
[Wien] isomer shift
Stefaan Cottenier
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2011/05/23
[Wien] isomer shift
van...@urisan.tche.br
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2011/05/23
[Wien] isomer shift
Ricardo Faccio
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2011/05/23
[Wien] isomer shift
Stefaan Cottenier
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2011/05/23
[Wien] isomer shift
van...@urisan.tche.br
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2011/05/23
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Rostam Golesorkhtabar
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2011/05/23
[Wien] analysing the convergence with the command "grep"
mouhamed mahdi
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2011/05/21
[Wien] problem with lapw1 during supercell calculations
Peter Blaha
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2011/05/21
[Wien] e-mails
Peter Blaha
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2011/05/21
[Wien] problem with lapw1 during supercell calculations
Pooja Rana
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2011/05/20
[Wien] e-mails
Renata Wentzcovitch
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2011/05/20
[Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )
Ghosh SUDDHASATTWA
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2011/05/19
[Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )
Stefaan Cottenier
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2011/05/19
[Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )
Ghosh SUDDHASATTWA
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2011/05/19
[Wien] SuperCell Configuration_RHFS Error during lstart
Ghosh SUDDHASATTWA
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2011/05/19
[Wien] problems in wien2k 10 run
Laurence Marks
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2011/05/19
[Wien] problems in wien2k 10 run
Laurence Marks
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2011/05/19
[Wien] problems in wien2k 10 run
saed alazar
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2011/05/19
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Peter Blaha
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2011/05/19
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Rostam Golesorkhtabar
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2011/05/19
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Ghosh SUDDHASATTWA
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2011/05/19
[Wien] COULD NOT DETERMINE LOCAL ROTATION MATRIX
Rostam Golesorkhtabar
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2011/05/18
[Wien] AFM initialization
Stefaan Cottenier
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2011/05/18
[Wien] AFM initialization
Ghosh SUDDHASATTWA
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2011/05/18
[Wien] exchange coupling constants calculations
Linux PC
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2011/05/18
[Wien] mixer error
Laurence Marks
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2011/05/18
[Wien] mixer error
水牧 仁一朗
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2011/05/18
[Wien] Limit in bandsup/dn.agr
Peter Blaha
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2011/05/18
[Wien] mixer error
Peter Blaha
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2011/05/18
[Wien] mixer error
水牧 仁一朗