wien
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Date
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2010/12/14
[Wien] LAPW0 hangs in mBJ calculation
Peter Blaha
2010/12/14
[Wien] LAPW0 hangs in mBJ calculation
John McLeod
2010/12/14
[Wien] convergence of slab calculations
Laurence Marks
2010/12/14
[Wien] convergence of slab calculations
Kakhaber Jandieri
2010/12/14
[Wien] RMT in MnPt3
Tomas Kana
2010/12/14
[Wien] RMT in MnPt3
Peter Blaha
2010/12/14
[Wien] RMT in MnPt3
Tomas Kana
2010/12/10
[Wien] problem with w2web"Error - Failed to open file"
sufyan
2010/12/10
[Wien] sum of eigenvalue
Bin Shao
2010/12/10
[Wien] sum of eigenvalue
Peter Blaha
2010/12/10
[Wien] sum of eigenvalue
Bin Shao
2010/12/10
[Wien] antiferromagnetic calculation
Stefaan Cottenier
2010/12/10
[Wien] antiferromagnetic calculation
pu...@iitk.ac.in
2010/12/10
[Wien] a question regarding space group and primitive cell
shamik chakrabarti
2010/12/10
[Wien] a question regarding space group and primitive cell
Stefaan Cottenier
2010/12/10
[Wien] a question regarding space group and primitive cell
shamik chakrabarti
2010/12/10
[Wien] sum of eigenvalue
Peter Blaha
2010/12/10
[Wien] sum of eigenvalue
Bin Shao
2010/12/10
[Wien] sum of eigenvalue
Peter Blaha
2010/12/09
[Wien] sum of eigenvalue
Bin Shao
2010/12/08
[Wien] ERROR in comprel: cannot find com.rel
Peter Blaha
2010/12/08
[Wien] ERROR in comprel: cannot find com.rel
Andrea Salguero
2010/12/08
[Wien] Interatomic potentials of two metals using Wien2k
Ghosh SUDDHASATTWA
2010/12/08
[Wien] s-valence charge density of beryllium implanted in Cu and Al
Amlan Ray
2010/12/07
[Wien] valence s-charge density of 7Be in Cu and Al
Peter Blaha
2010/12/07
[Wien] valence s-charge density of 7Be in Cu and Al
Amlan Ray
2010/12/06
[Wien] space group p-3m1 (164)
Laurence Marks
2010/12/06
[Wien] space group p-3m1 (164)
ahmed amine
2010/12/05
[Wien] Charge density plot for s-valence electrons
Peter Blaha
2010/12/05
[Wien] problem with spaghetti -so -p
Peter Blaha
2010/12/05
[Wien] Charge density plot for s-valence electrons
Amlan Ray
2010/12/05
[Wien] Help_Fine_grid_mpi_parallization
Manish Kumar
2010/12/05
[Wien] TELNES.2 Program -Problem in plotting broadened spectra
SANJAY KUMAR SINGH
2010/12/04
[Wien] Electron density plot
larbi larbi
2010/12/04
[Wien] Electron density plot
Mojtaba Zareii
2010/12/02
[Wien] problem with spaghetti -so -p
Saeed Bahramy
2010/12/02
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Laurence Marks
2010/12/02
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Laurence Marks
2010/12/02
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Hamid Abbaszadeh
2010/12/02
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Hamid Abbaszadeh
2010/12/02
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Maxim Rakitin
2010/12/02
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Laurence Marks
2010/12/02
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Hamid Abbaszadeh
2010/12/02
[Wien] Self consistent LDA+U in WIEN2k 10.1?
Laurence Marks
2010/12/02
[Wien] Self consistent LDA+U in WIEN2k 10.1?
Wei Xie
2010/12/01
[Wien] Bethe-Salpeter Equation
Peter Blaha
2010/12/01
[Wien] charge density plot for s-valence electrons
Amlan Ray
2010/11/29
[Wien] correctness of elastic constants
Subhra Kulshrestha
2010/11/29
[Wien] Problem in plot by TELNES.2
SANJAY KUMAR SINGH
2010/11/29
[Wien] Bethe-Salpeter Equation
ZhenChen
2010/11/27
[Wien] lapw1 error
hua peng
2010/11/26
[Wien] how to use telnes3
Peter Blaha
2010/11/26
[Wien] problem in initso_lapw
susanta mohanta
2010/11/26
[Wien] how to use telnes3
Y.Shinoda
2010/11/25
[Wien] The eigenvalues of special k-point after doing spin-orbita coupling
Bin Shao
2010/11/24
[Wien] calculation of optical properties
hossien rahnama
2010/11/24
[Wien] calculation of optical properties
van...@urisan.tche.br
2010/11/22
[Wien] Problem in hcp n 2Doptimize
Jyoti
2010/11/22
[Wien] (no subject)
Jyoti
2010/11/22
[Wien] quation about case.in1_st and case.scf
kimia abedi
2010/11/22
[Wien] error in c/a optimization.
susanta mohanta
2010/11/21
[Wien] quation about case.in1_st and case.scf
Peter Blaha
2010/11/21
[Wien] error in c/a optimization.
Peter Blaha
2010/11/21
[Wien] FORTRAN STOP SECLR4 - Error
Peter Blaha
2010/11/21
[Wien] problem with lapw1c
Peter Blaha
2010/11/21
[Wien] Potential Delta-sol
Peter Blaha
2010/11/21
[Wien] quation about case.in1_st and case.scf
kimia abedi
2010/11/20
[Wien] error in c/a optimization.
susanta mohanta
2010/11/20
[Wien] init_lapw problems with batch option (badly solved?)
Laurence Marks
2010/11/20
[Wien] init_lapw problems with batch option (badly solved?)
Markus Kaukonen
2010/11/20
[Wien] About BoltzTraP
Artamonov Oleg
2010/11/19
[Wien] FORTRAN STOP SECLR4 - Error
ahmed amine
2010/11/19
[Wien] multilayers
van...@urisan.tche.br
2010/11/19
[Wien] problem with lapw1c
Amilcar Meneses Viveros
2010/11/19
[Wien] Potential Delta-sol
Amilcar Meneses Viveros
2010/11/19
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
César de la Fuente
2010/11/19
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Peter Blaha
2010/11/19
No subject
2010/11/19
No subject
2010/11/19
No subject
2010/11/19
No subject
2010/11/19
No subject
2010/11/19
No subject
2010/11/19
No subject
2010/11/19
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
César de la Fuente
2010/11/18
[Wien] how to plot 3D fermi surface using XCrySDen
Bin Shao
2010/11/18
[Wien] how to plot 3D fermi surface using XCrySDen
Peter Blaha
2010/11/17
[Wien] how to plot 3D fermi surface using XCrySDen
Bin Shao
2010/11/17
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Wei Xie
2010/11/17
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
César de la Fuente
2010/11/16
[Wien] GaAs: error SCF!!
Peter Blaha
2010/11/16
[Wien] GaAs: error SCF!!
Jose Alfredo Camargo Martinez
2010/11/15
[Wien] A problem in volume otimization with sin orbit interaction
Mahmoud Farout
2010/11/15
[Wien] new x and z axis in qtl
Maurits W. Haverkort
2010/11/14
[Wien] A problem in volume otimization with sin orbit interaction
Lyudmila V. Dobysheva
2010/11/14
[Wien] A problem in volume otimization with sin orbit interaction
Mahmoud Farout
2010/11/14
[Wien] A problem in volume otimization with sin orbit interaction
Mahmoud Farout
2010/11/14
[Wien] Parallel Wien2k using Intel MPI?
Laurence Marks
2010/11/14
[Wien] Parallel Wien2k using Intel MPI?
Laurence Marks
2010/11/14
[Wien] Parallel Wien2k using Intel MPI?
Stefan Becuwe
2010/11/13
[Wien] efermi out of energy range
Sergey Yablonovskiy
2010/11/12
[Wien] error in lapw1
rakhiSharma
2010/11/11
[Wien] orbital moment ?
susanta mohanta
2010/11/11
[Wien] Suggestions on 32 atom Supercell
Ghosh SUDDHASATTWA
2010/11/11
[Wien] error in lapw1
JUPHY SANJAY
2010/11/11
[Wien] GaAs: error SCF!!
Lyudmila V. Dobysheva
2010/11/10
[Wien] mbj on Diamond
Saeid Jalali
2010/11/10
[Wien] mbj on Diamond
Kamil Klier
2010/11/10
[Wien] mbj on Diamond
Kamil Klier
2010/11/10
[Wien] GaAs: error SCF!!
Jose Alfredo Camargo Martinez
2010/11/10
[Wien] GaAs: error SCF!!
Peter Blaha
2010/11/10
[Wien] GaAs: error SCF!!
Lyudmila V. Dobysheva
2010/11/09
[Wien] wrong site multiplicity in R-3m Fe-Ga-Si
Volodymyr Svitlyk
2010/11/09
[Wien] wrong site multiplicity in R-3m Fe-Ga-Si
Volodymyr Svitlyk
2010/11/09
[Wien] GaAs: error SCF!!
Jose Alfredo Camargo Martinez
2010/11/08
[Wien] Overlapping Spheres, Spin Polarized Case
Ghosh SUDDHASATTWA
2010/11/08
[Wien] new version
Dr Aruna Chatterjee
2010/11/08
[Wien] mbj on Diamond
Peter Blaha
2010/11/08
[Wien] password
Peter Blaha
2010/11/08
[Wien] password
van...@urisan.tche.br
2010/11/06
[Wien] mbj on Diamond
Kamil Klier
2010/11/03
[Wien] case.inq
Peter Blaha
2010/11/03
[Wien] case.inq
王静
2010/11/03
[Wien] Problem in a very simple calculation
Marcos Veríssimo Alves
2010/11/03
[Wien] Problem in a very simple calculation
Marcos Veríssimo Alves
2010/11/03
[Wien] force minimization method change from PORT to NEWT
shamik chakrabarti
2010/11/03
[Wien] After SO band structure calculation error
santu baidya
2010/11/02
[Wien] Problem with geometry minimzation
Saeed Bahramy
2010/11/02
[Wien] Problem with geometry minimzation
Peter Blaha
2010/11/02
[Wien] Problem with geometry minimzation
Saeed Bahramy
2010/11/02
[Wien] Problem with geometry minimzation
Laurence Marks
2010/11/02
[Wien] Problem with geometry minimzation
Saeed Bahramy
2010/11/02
[Wien] Problem with geometry minimzation
Laurence Marks
2010/11/02
[Wien] Problem with geometry minimzation
Peter Blaha
2010/11/02
[Wien] Problem with geometry minimzation
Saeed Bahramy
2010/11/02
[Wien] IR spectrum and NMR
Laurence Marks
2010/11/02
[Wien] Problem with geometry minimzation
Peter Blaha
2010/11/02
[Wien] Problem with geometry minimzation
Saeed Bahramy
2010/11/02
[Wien] Problem with geometry minimzation
Laurence Marks
2010/11/02
[Wien] IR spectrum and NMR
Peter Blaha
2010/11/02
[Wien] initso in w2web and ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Peter Blaha
2010/11/02
[Wien] initso in w2web and ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Ghosh SUDDHASATTWA
2010/11/02
[Wien] initso in w2web and ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Gerhard Fecher
2010/11/02
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
shamik chakrabarti
2010/11/01
[Wien] Problem with geometry minimzation
Saeed Bahramy
2010/11/01
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
Peter Blaha
2010/11/01
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
shamik chakrabarti
2010/11/01
[Wien] LAPW2 crashed when running in parallel
Wei Xie
2010/11/01
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
Chandra Bhanu Basak
2010/11/01
[Wien] LAPW2 crashed when running in parallel
Maxim Rakitin
2010/11/01
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
shamik chakrabarti
2010/11/01
[Wien] LAPW2 crashed when running in parallel
Wei Xie
2010/11/01
[Wien] LAPW2 crashed when running in parallel
Lyudmila V. Dobysheva
2010/11/01
[Wien] Gd5Si4 calculations freeze
Maxim Rakitin
2010/11/01
[Wien] Gd5Si4 calculations freeze
Peter Blaha
2010/11/01
[Wien] problem with initso
Md. Fhokrul Islam
2010/11/01
[Wien] Gd5Si4 calculations freeze
Maxim Rakitin
2010/10/31
[Wien] Gd5Si4 calculations freeze
Peter Blaha
2010/10/31
[Wien] LAPW2 crashed when running in parallel
Maxim Rakitin
2010/10/31
[Wien] LAPW2 crashed when running in parallel
Wei Xie
2010/10/31
[Wien] LAPW2 crashed when running in parallel
Maxim Rakitin
2010/10/31
[Wien] LAPW2 crashed when running in parallel
Wei Xie
2010/10/31
[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Zsolt Rak
2010/10/30
[Wien] Utility in WIEN2K for polynomial fitting
Jyoti
2010/10/30
[Wien] Two questions on Monoclinic lattice
Jyoti
2010/10/30
[Wien] Gd5Si4 calculations freeze
Volodymyr Svitlyk
2010/10/30
[Wien] IR spectrum and NMR
E.A.Moore
2010/10/30
[Wien] IR spectrum and NMR
Vlad Michaelis
2010/10/30
[Wien] Two clarifications regarding Monoclinic lattice
Jyoti
2010/10/30
[Wien] How to obtain spin-polarized band gap with spin-orbital coupling?
lh...@sohu.com
2010/10/30
[Wien] laptop can work faster than a typical good cluster!
Saeid Jalali
2010/10/30
[Wien] IR spectrum and NMR
Ahmad Ranjbar
2010/10/30
[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Peter Blaha
2010/10/30
[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Stefaan Cottenier
2010/10/29
[Wien] laptop can work faster than a typical good cluster!
Dr. Manish K. Kashyap
2010/10/29
[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Zsolt Rak
2010/10/29
[Wien] MBJ Problem
Saeid Jalali
2010/10/29
[Wien] how can I give rotation to an atom to go to local coordinates from global coordinates from wien2k package of version 2007????
Peter Blaha
2010/10/28
[Wien] [?? Probable Spam] Re: "Bad Header Error" after SCF cycle in TiC and NaCl problems
Krisna Swaroop Sharma
2010/10/28
[Wien] how can I give rotation to an atom to go to local coordinates from global coordinates from wien2k package of version 2007????
santu baidya
2010/10/28
[Wien] [?? Probable Spam] Re: "Bad Header Error" after SCF cycle in TiC and NaCl problems
Stefaan Cottenier
2010/10/28
[Wien] [?? Probable Spam] Re: "Bad Header Error" after SCF cycle in TiC and NaCl problems
Krisna Swaroop Sharma
2010/10/27
[Wien] mbj
Saeid Jalali
2010/10/27
[Wien] Fw: Optimization problem
Mahmoud Farout
2010/10/27
[Wien] Fw: Optimization problem
Mahmoud Farout
2010/10/27
[Wien] -NI switch in mini
Kakhaber Jandieri
2010/10/27
[Wien] W2web connection error on fedora 10
Mahmoud Farout
2010/10/27
[Wien] W2web connection error on fedora 10
Gavin Abo
2010/10/27
[Wien] Optimization problem
Mahmoud Farout
2010/10/27
[Wien] W2web connection error on fedora 10
Mahmoud Farout
2010/10/27
[Wien] necessary modification to brj.f90
Mohamad Monazam
2010/10/27
[Wien] Querie on the -i switch for iterations_Spin Polarized Cases
Gerhard Fecher
2010/10/27
[Wien] select complex calculation by using init_lapw
Bin Shao
2010/10/27
[Wien] Querie on the -i switch for iterations_Spin Polarized Cases
Ghosh SUDDHASATTWA
2010/10/27
[Wien] select complex calculation by using init_lapw
Peter Blaha
2010/10/27
[Wien] select complex calculation by using init_lapw
Bin Shao
2010/10/27
[Wien] Querie on the -i switch for iterations_Spin Polarized Cases
Gerhard Fecher
2010/10/26
[Wien] Orbital moment
susanta mohanta
2010/10/26
[Wien] Orbital moment
Jin Hyo-sun
2010/10/26
[Wien] Querie on the -i switch for iterations_Spin Polarized Cases
Ghosh SUDDHASATTWA
Earlier messages
Later messages