September 2011 Archives by subject
Starting: Thu Sep 1 01:13:09 CEST 2011
Ending: Fri Sep 30 23:49:40 CEST 2011
Messages: 194
- [Wien] "x optic -p" error
Rodrigo Domínguez García
- [Wien] "x optic -p" error
Tomohiko Tasaka
- [Wien] 2 PhD positions at Virginia Tech
Celine Hin
- [Wien] 2D fermisurface generation
丁明翠
- [Wien] 2D fermisurface generation
Peter Blaha
- [Wien] 4-D optimization
Viktor Zano
- [Wien] 4-D optimization
Peter Blaha
- [Wien] 4-D optimization
Viktor Zano
- [Wien] 4-D optimization
Peter Blaha
- [Wien] 4-D optimization
Viktor Zano
- [Wien] [GGA+U] with AFM and Spin-Orbit Coupling
Ghosh SUDDHASATTWA
- [Wien] [GGA+U] with AFM and Spin-Orbit Coupling
tran at theochem.tuwien.ac.at
- [Wien] [SPAM?] Some questions about SPIxxx
butz1004
- [Wien] A question about the implementation of XSPEC
John McLeod
- [Wien] A question about the implementation of XSPEC
Kevin Jorissen
- [Wien] A question about the implementation of XSPEC
John McLeod
- [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell
Qiwen YAO
- [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell
Stefaan Cottenier
- [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell
Peter Blaha
- [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell
Qiwen YAO
- [Wien] a small bug in TELNES3.0
ZhenChen
- [Wien] a small bug in TELNES3.0
Kevin Jorissen
- [Wien] aim input
Yundi Quan
- [Wien] array FJ lower bound error with ifort 12
Gavin Abo
- [Wien] array FJ lower bound error with ifort 12
Peter Blaha
- [Wien] array FJ lower bound error with ifort 12
Gavin Abo
- [Wien] band structure
Lukasz Plucinski
- [Wien] band structure
Peter Blaha
- [Wien] BoltzTraP - case.intrans
Malgorzata Bukala
- [Wien] bug in join_vectorfiles
katrusiat
- [Wien] bug in join_vectorfiles
Peter Blaha
- [Wien] bug in join_vectorfiles
Maxim Rakitin
- [Wien] bug in join_vectorfiles
Peter Blaha
- [Wien] calculate ionic charge
puday at iitk.ac.in
- [Wien] calculate ionic charge
Peter Blaha
- [Wien] change convergence criteria
Yundi Quan
- [Wien] change convergence criteria
Peter Blaha
- [Wien] change convergence criteria
Yundi Quan
- [Wien] charge disproportionation
Yundi Quan
- [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k)
Ghosh SUDDHASATTWA
- [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k)
Laurence Marks
- [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k)
Maurits W. Haverkort
- [Wien] difficult to converge
Yundi Quan
- [Wien] difficult to converge
Laurence Marks
- [Wien] EF not accurate, new emin,emax,NE-min,NE-max
Aboudi Hamouda
- [Wien] EFERMI OUT OF ENERGY RANGE
Jinjan Ren
- [Wien] EFERMI OUT OF ENERGY RANGE
Gerhard Fecher
- [Wien] EFERMI OUT OF ENERGY RANGE
Jinjan Ren
- [Wien] EFERMI OUT OF ENERGY RANGE
Peter Blaha
- [Wien] EFERMI OUT OF ENERGY RANGE
Laurence Marks
- [Wien] EFERMI OUT OF ENERGY RANGE
Jinjan Ren
- [Wien] EFERMI OUT OF ENERGY RANGE
Jinjan Ren
- [Wien] EFERMI OUT OF ENERGY RANGE
Laurence Marks
- [Wien] EFERMI OUT OF ENERGY RANGE
Jinjan Ren
- [Wien] EFERMI OUT OF ENERGY RANGE
Laurence Marks
- [Wien] EFERMI OUT OF ENERGY RANGE
Jinjan Ren
- [Wien] EFERMI OUT OF ENERGY RANGE
Laurence Marks
- [Wien] EFERMI OUT OF ENERGY RANGE
Laurence Marks
- [Wien] EFERMI OUT OF ENERGY RANGE
Jinjan Ren
- [Wien] EFERMI OUT OF ENERGY RANGE
Jinjan Ren
- [Wien] EFERMI OUT OF ENERGY RANGE
Laurence Marks
- [Wien] Error in DOS. MBJ(GGA)
Jose Alfredo Camargo Martinez
- [Wien] error in lapw1
AJAY SINGH VERMA
- [Wien] error when plotting spin density contours 3d
Aboudi Hamouda
- [Wien] ERROR: negative position in rstruc. Please report
Ghosh SUDDHASATTWA
- [Wien] ERROR: negative position in rstruc. Please report
Peter Blaha
- [Wien] ERROR: negative position in rstruc. Please report
Peter Blaha
- [Wien] ERROR: negative position in rstruc. Please report
Ghosh SUDDHASATTWA
- [Wien] FGL total force
Yundi Quan
- [Wien] FGL total force
Stefaan Cottenier
- [Wien] FGL total force
Laurence Marks
- [Wien] FGL total force
Yundi Quan
- [Wien] FS of a slab
Artamonov Oleg
- [Wien] FS of a slab
Peter Blaha
- [Wien] FS of a slab
Artamonov Oleg
- [Wien] FW: error in lapw1
AJAY SINGH VERMA
- [Wien] Fw: BoltzTraP - case.intrans
Malgorzata Bukala
- [Wien] Fw: BoltzTraP - case.intrans
Gerhard Fecher
- [Wien] Fw: BoltzTraP - case.intrans
Laurence Marks
- [Wien] Fw: BoltzTraP - case.intrans
Malgorzata Bukala
- [Wien] Fwd: "x optic -p" error
Rodrigo Domínguez García
- [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files
Jinjan Ren
- [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files
Peter Blaha
- [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files
Jinjan Ren
- [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files
Jinjan Ren
- [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files
Peter Blaha
- [Wien] help pl.
M. Koshino
- [Wien] how I can overcome this warning
Aboudi Hamouda
- [Wien] how I can overcome this warning
Peter Blaha
- [Wien] hubbard Us on two orbitals at the same atom
Bin Shao
- [Wien] hubbard Us on two orbitals at the same atom
tran at theochem.tuwien.ac.at
- [Wien] IBM Blue Gene
Lee, Yongbin [A LAB]
- [Wien] IBM Blue Gene
Peter Blaha
- [Wien] indmc
tran at theochem.tuwien.ac.at
- [Wien] indmc
Yundi Quan
- [Wien] Input of structure of random alloy in Wien2k
Ghosh SUDDHASATTWA
- [Wien] Input of structure of random alloy in Wien2k
Yundi Quan
- [Wien] Input of structure of random alloy in Wien2k
Gregory Pomrehn
- [Wien] issue with doing structure minimization on MacPro workstation
Gerhard Fecher
- [Wien] issue with doing structure minimization on MacPro workstation
Gilles Hug
- [Wien] issue with doing structure minimization on MacPro workstation
Laurence Marks
- [Wien] issue with doing structure minimization on MacPro workstation
Robert C. Albers
- [Wien] issue with doing structure minimization on MacPro workstation
Gilles Hug
- [Wien] issue with doing structure minimization on MacPro workstation
Jian-Xin Zhu
- [Wien] Job offer
ROBERTO LUIS IGLESIAS PASTRANA
- [Wien] Magnetic susceptibility and LDA+U
Viktor Zano
- [Wien] non-shared memory
Yundi Quan
- [Wien] non-shared memory
Peter Blaha
- [Wien] non-shared memory
Yundi Quan
- [Wien] non-shared memory
YONGBIN LEE
- [Wien] optimization notes- Marks2004
Viktor Zano
- [Wien] optimization notes- Marks2004
Laurence Marks
- [Wien] optimization notes- Marks2004
Viktor Zano
- [Wien] optimization notes- Marks2004
Viktor Zano
- [Wien] optimization notes- Marks2004
Gavin Abo
- [Wien] optimization notes- Marks2004
Viktor Zano
- [Wien] orbital moment
tripurari sinha
- [Wien] orbital moment
Gerhard Fecher
- [Wien] orbital moment
Stefaan Cottenier
- [Wien] parallel compuation
Yundi Quan
- [Wien] parallel compuation
Peter Blaha
- [Wien] parallel computation
Yundi Quan
- [Wien] parallel computation
Peter Blaha
- [Wien] Parallel Options
Ghosh SUDDHASATTWA
- [Wien] Parallel Options
Laurence Marks
- [Wien] partial DOS
Yundi Quan
- [Wien] partial DOS
Peter Blaha
- [Wien] PhD position in Vienna
Peter Blaha
- [Wien] phonon calculation
Yundi Quan
- [Wien] phonon calculation
Laurence Marks
- [Wien] phonon calculation
Yundi Quan
- [Wien] phonon calculation
Ghosh SUDDHASATTWA
- [Wien] phonon calculation
Yundi Quan
- [Wien] phonon calculation
Ghosh SUDDHASATTWA
- [Wien] phonon calculation
Yundi Quan
- [Wien] phonon calculation
Ghosh SUDDHASATTWA
- [Wien] phonon calculation
Yundi Quan
- [Wien] phonon calculation
Stefaan Cottenier
- [Wien] phonon calculation
Yundi Quan
- [Wien] phonon calculation
Laurence Marks
- [Wien] phonon calculation
Yundi Quan
- [Wien] phonon calculation
Laurence Marks
- [Wien] phonon calculation
Yundi Quan
- [Wien] phonon calculation
Peter Blaha
- [Wien] Ploting DOS
Dr Qiwen YAO
- [Wien] Ploting DOS
Stefaan Cottenier
- [Wien] Problem in Elast output-reg.
jaya anand
- [Wien] Problem in Elast output-reg.
jaya anand
- [Wien] Problem in Elast output-reg.
Peter Blaha
- [Wien] Problem with SO calculations
Ирина Шихман
- [Wien] Problems with occupancy
Che Franklin N.
- [Wien] Problems with occupancy
Gerhard Fecher
- [Wien] radial mesh for total energy
Yundi Quan
- [Wien] radial mesh for total energy
Peter Blaha
- [Wien] radial mesh for total energy
Yundi Quan
- [Wien] radial mesh for total energy
Laurence Marks
- [Wien] REG: including 4f state in calculation
bobli rekharam
- [Wien] REG: including 4f state in calculation
Stefaan Cottenier
- [Wien] Reg:band structure with spin orbit coupling
bobli rekharam
- [Wien] Reg:band structure with spin orbit coupling
Peter Blaha
- [Wien] segmentation fault
Mojtaba Zareii
- [Wien] segmentation fault
Peter Blaha
- [Wien] show
MAHDI SALMANI HIRMAND
- [Wien] Some questions about SPIxxx
tran at theochem.tuwien.ac.at
- [Wien] spin texture?
Ruben Weht
- [Wien] spin texture?
Yundi Quan
- [Wien] spin texture?
Ruben Weht
- [Wien] structure minimization
Yundi Quan
- [Wien] Supercell calculation is not converging
shamik chakrabarti
- [Wien] Supercell calculation is not converging
Laurence Marks
- [Wien] Supercell calculation is not converging
shamik chakrabarti
- [Wien] Supercell calculation is not converging
Laurence Marks
- [Wien] Supercell calculation is not converging
shamik chakrabarti
- [Wien] Symmetry pts in Brillouin zone
J. K. Balamurugan
- [Wien] Symmetry pts in Brillouin zone
Peter Blaha
- [Wien] Symmetry pts in Brillouin zone
J. K. Balamurugan
- [Wien] Symmetry pts in Brillouin zone
Peter Blaha
- [Wien] Symmetry pts in Brillouin zone
J. K. Balamurugan
- [Wien] testpara1_lapw
Yundi Quan
- [Wien] Tetra NaN problem solved
Parker, David S.
- [Wien] thebest rkmax
bs bs
- [Wien] thebest rkmax
Stefaan Cottenier
- [Wien] valency
Yundi Quan
- [Wien] valency
Peter Blaha
- [Wien] x xspec runtime error
Gavin Abo
- [Wien] x xspec runtime error
Peter Blaha
- [Wien] x xspec runtime error
Gavin Abo
- [Wien] x xspec runtime error
Laurence Marks
- [Wien] x xspec runtime error
Gerhard Fecher
- [Wien] x xspec runtime error
Gavin Abo
- [Wien] x xspec runtime error
Gerhard Fecher
- [Wien] x xspec runtime error
Gavin Abo
- [Wien] x xspec runtime error
Gerhard Fecher
- [Wien] x xspec runtime error
Gavin Abo
Last message date:
Fri Sep 30 23:49:40 CEST 2011
Archived on: Fri Sep 30 23:50:14 CEST 2011
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