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[Wien] electron density plot
shameem banu
[Wien] problem with spaghetti -so -p
Saeed Bahramy
[Wien] problem with spaghetti -so -p
Peter Blaha
[Wien] charge density plot for s-valence electrons
Amlan Ray
[Wien] Charge density plot for s-valence electrons
Amlan Ray
[Wien] Charge density plot for s-valence electrons
Peter Blaha
[Wien] correctness of elastic constants
Subhra Kulshrestha
[Wien] Problem in plot by TELNES.2
SANJAY KUMAR SINGH
[Wien] Bethe-Salpeter Equation
ZhenChen
[Wien] Bethe-Salpeter Equation
Peter Blaha
[Wien] Self consistent LDA+U in WIEN2k 10.1?
Wei Xie
[Wien] Self consistent LDA+U in WIEN2k 10.1?
Laurence Marks
[Wien] Bethe-Salpeter Equation
Osama Yassin
[Wien] Bethe-Salpeter Equation
Peter Blaha
[Wien] lapw1 error
hua peng
[Wien] LAPW1 error
Jameson Maibam
[Wien] problem in initso_lapw
susanta mohanta
[Wien] how to use telnes3
Y.Shinoda
[Wien] how to use telnes3
Peter Blaha
[Wien] The eigenvalues of special k-point after doing spin-orbita coupling
Bin Shao
[Wien] calculation of optical properties
van...@urisan.tche.br
[Wien] calculation of optical properties
hossien rahnama
[Wien] Problem in hcp n 2Doptimize
Jyoti
[Wien] quation about case.in1_st and case.scf
kimia abedi
[Wien] quation about case.in1_st and case.scf
Peter Blaha
[Wien] quation about case.in1_st and case.scf
kimia abedi
[Wien] error in c/a optimization.
susanta mohanta
[Wien] error in c/a optimization.
Peter Blaha
[Wien] error in c/a optimization.
susanta mohanta
[Wien] init_lapw problems with batch option (badly solved?)
Markus Kaukonen
[Wien] init_lapw problems with batch option (badly solved?)
Laurence Marks
[Wien] FORTRAN STOP SECLR4 - Error
ahmed amine
[Wien] FORTRAN STOP SECLR4 - Error
Peter Blaha
[Wien] multilayers
van...@urisan.tche.br
[Wien] problem with lapw1c
Amilcar Meneses Viveros
[Wien] problem with lapw1c
Peter Blaha
[Wien] Potential Delta-sol
Amilcar Meneses Viveros
[Wien] Potential Delta-sol
Peter Blaha
[Wien] how to plot 3D fermi surface using XCrySDen
Bin Shao
[Wien] how to plot 3D fermi surface using XCrySDen
Peter Blaha
[Wien] how to plot 3D fermi surface using XCrySDen
Bin Shao
[Wien] new x and z axis in qtl
Maurits W. Haverkort
[Wien] A problem in volume otimization with sin orbit interaction
Mahmoud Farout
[Wien] A problem in volume otimization with sin orbit interaction
Mahmoud Farout
[Wien] A problem in volume otimization with sin orbit interaction
Lyudmila V. Dobysheva
[Wien] A problem in volume otimization with sin orbit interaction
Mahmoud Farout
[Wien] Parallel Wien2k using Intel MPI?
Stefan Becuwe
[Wien] Parallel Wien2k using Intel MPI?
Laurence Marks
[Wien] Parallel Wien2k using Intel MPI?
Laurence Marks
[Wien] efermi out of energy range
Sergey Yablonovskiy
[Wien] orbital moment ?
susanta mohanta
[Wien] Suggestions on 32 atom Supercell
Ghosh SUDDHASATTWA
[Wien] error in lapw1
JUPHY SANJAY
[Wien] error in lapw1
rakhiSharma
[Wien] error in lapw1
AJAY SINGH VERMA
[Wien] FW: error in lapw1
AJAY SINGH VERMA
[Wien] error in lapw1
Swetarekha Ram
[Wien] Error in LAPW1
Antônio Vanbderlei dos Santos
[Wien] Error in LAPW1
Laurence Marks
[Wien] Error in LAPW1
Stefaan Cottenier
[Wien] Error in LAPW1
Antônio Vanbderlei dos Santos
[Wien] Error in LAPW1
Reza Mahani
[Wien] Error in LAPW1
Peter Blaha
[Wien] mpif90
Saeid Jalali
[Wien] error in lapw1
Jameson Maibam
[Wien] error in lapw1
AJAY SINGH VERMA
[Wien] error in lapw1
Gavin Abo
[Wien] GaAs: error SCF!!
Jose Alfredo Camargo Martinez
[Wien] wrong site multiplicity in R-3m Fe-Ga-Si
Volodymyr Svitlyk
[Wien] wrong site multiplicity in R-3m Fe-Ga-Si
Volodymyr Svitlyk
[Wien] GaAs: error SCF!!
Lyudmila V. Dobysheva
[Wien] GaAs: error SCF!!
Jose Alfredo Camargo Martinez
[Wien] GaAs: error SCF!!
Lyudmila V. Dobysheva
[Wien] GaAs: error SCF!!
Peter Blaha
[Wien] GaAs: error SCF!!
Jose Alfredo Camargo Martinez
[Wien] GaAs: error SCF!!
Peter Blaha
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
César de la Fuente
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Wei Xie
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
César de la Fuente
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Peter Blaha
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
César de la Fuente
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Hamid Abbaszadeh
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Laurence Marks
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Maxim Rakitin
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Hamid Abbaszadeh
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Hamid Abbaszadeh
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Laurence Marks
[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?
Laurence Marks
[Wien] About BoltzTraP
Artamonov Oleg
[Wien] Overlapping Spheres, Spin Polarized Case
Ghosh SUDDHASATTWA
[Wien] new version
Dr Aruna Chatterjee
[Wien] password
van...@urisan.tche.br
[Wien] password
Peter Blaha
[Wien] password
Antonio Vanderlei dos Santos - Fisica
[Wien] case.inq
王静
[Wien] case.inq
Peter Blaha
[Wien] Problem in a very simple calculation
Marcos Veríssimo Alves
[Wien] Problem in a very simple calculation
Marcos Veríssimo Alves
[Wien] force minimization method change from PORT to NEWT
shamik chakrabarti
[Wien] After SO band structure calculation error
santu baidya
[Wien] initso in w2web and ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Gerhard Fecher
[Wien] initso in w2web and ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Ghosh SUDDHASATTWA
[Wien] initso in w2web and ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Peter Blaha
[Wien] Problem with geometry minimzation
Saeed Bahramy
[Wien] Problem with geometry minimzation
Laurence Marks
[Wien] Problem with geometry minimzation
Saeed Bahramy
[Wien] Problem with geometry minimzation
Peter Blaha
[Wien] Problem with geometry minimzation
Saeed Bahramy
[Wien] Problem with geometry minimzation
Peter Blaha
[Wien] Problem with geometry minimzation
Saeed Bahramy
[Wien] Problem with geometry minimzation
Laurence Marks
[Wien] Problem with geometry minimzation
Saeed Bahramy
[Wien] Problem with geometry minimzation
Peter Blaha
[Wien] Problem with geometry minimzation
Saeed Bahramy
[Wien] Problem with geometry minimzation
Laurence Marks
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
shamik chakrabarti
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
Chandra Bhanu Basak
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
shamik chakrabarti
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
Peter Blaha
[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers
shamik chakrabarti
[Wien] LAPW2 crashed when running in parallel
Wei Xie
[Wien] LAPW2 crashed when running in parallel
Maxim Rakitin
[Wien] LAPW2 crashed when running in parallel
Wei Xie
[Wien] LAPW2 crashed when running in parallel
Maxim Rakitin
[Wien] LAPW2 crashed when running in parallel
Wei Xie
[Wien] LAPW2 crashed when running in parallel
Maxim Rakitin
[Wien] LAPW2 crashed when running in parallel
Lyudmila V. Dobysheva
[Wien] LAPW2 crashed when running in parallel
Wei Xie
[Wien] Utility in WIEN2K for polynomial fitting
Jyoti
[Wien] Two questions on Monoclinic lattice
Jyoti
[Wien] Two clarifications regarding Monoclinic lattice
Jyoti
[Wien] IR spectrum and NMR
Ahmad Ranjbar
[Wien] IR spectrum and NMR
Vlad Michaelis
[Wien] IR spectrum and NMR
E.A.Moore
[Wien] IR spectrum and NMR
Peter Blaha
[Wien] IR spectrum and NMR
Laurence Marks
[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Zsolt Rak
[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Stefaan Cottenier
[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Peter Blaha
[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
Zsolt Rak
[Wien] MBJ Problem
Saeid Jalali
[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
[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
[Wien] Fw: Optimization problem
Mahmoud Farout
[Wien] Fw: Optimization problem
Mahmoud Farout
[Wien] mbj
Saeid Jalali
[Wien] Optimization problem
Mahmoud Farout
[Wien] select complex calculation by using init_lapw
Bin Shao
[Wien] select complex calculation by using init_lapw
Peter Blaha
[Wien] select complex calculation by using init_lapw
Bin Shao
[Wien] Orbital moment
Jin Hyo-sun
[Wien] Orbital moment
susanta mohanta
[Wien] W2web connection error on fedora 10
Mahmoud Farout
[Wien] W2web connection error on fedora 10
Gavin Abo
[Wien] W2web connection error on fedora 10
Mahmoud Farout
[Wien] orbital moment
tripurari sinha
[Wien] orbital moment
Gerhard Fecher
[Wien] orbital moment
Stefaan Cottenier
[Wien] Querie on the -i switch for iterations_Spin Polarized Cases
Ghosh SUDDHASATTWA
[Wien] Querie on the -i switch for iterations_Spin Polarized Cases
Gerhard Fecher
[Wien] Querie on the -i switch for iterations_Spin Polarized Cases
Ghosh SUDDHASATTWA
[Wien] Querie on the -i switch for iterations_Spin Polarized Cases
Gerhard Fecher
[Wien] A problem with WIEN2k_10
Mahmoud Farout
[Wien] Compilation problem of lapw0_mpi(fftw)
Hiroki Takahashi
[Wien] Compilation problem of lapw0_mpi(fftw)
Maxim Rakitin
[Wien] Compilation problem of lapw0_mpi(fftw)
Hiroki Takahashi
[Wien] Problem with force minimization
Saeed Bahramy
[Wien] Problem with force minimization
Maxim Rakitin
[Wien] Problem with force minimization
Saeed Bahramy
[Wien] Problem with force minimization
Maxim Rakitin
[Wien] Problem with force minimization
Saeed Bahramy
[Wien] Problem with force minimization
Maxim Rakitin
[Wien] Problem with force minimization
Stefaan Cottenier
[Wien] Problem with force minimization
Saeed Bahramy
[Wien] Problem with force minimization
Saeed Bahramy
[Wien] necessary modification to brj.f90
Mohamad Monazam
[Wien] necessary modification to brj.f90
Saeid Jalali
[Wien] necessary modification to brj.f90
Mohamad Monazam
[Wien] spin orbit calculation (problem with Wien2k_10)
Mahmoud Farout
[Wien] spin orbit calculation (problem with Wien2k_10)
Stefaan Cottenier
[Wien] spin orbit calculation (problem with Wien2k_10)
Mahmoud Farout
[Wien] spin orbit calculation (problem with Wien2k_10)
Gerhard Fecher
[Wien] spin orbit calculation (problem with Wien2k_10)
Mahmoud Farout
[Wien] "Bad Header Error" after SCF cycle in TiC and NaCl problems
Krisna Swaroop Sharma
[Wien] "Bad Header Error" after SCF cycle in TiC and NaCl problems
Maxim Rakitin
[Wien] [?? Probable Spam] Re: "Bad Header Error" after SCF cycle in TiC and NaCl problems
Krisna Swaroop Sharma
[Wien] [?? Probable Spam] Re: "Bad Header Error" after SCF cycle in TiC and NaCl problems
Stefaan Cottenier
[Wien] [?? Probable Spam] Re: "Bad Header Error" after SCF cycle in TiC and NaCl problems
Krisna Swaroop Sharma
[Wien] mbj of Diamond
Martin Kroeker
[Wien] mbj of Diamond
Saeid Jalali
[Wien] mbj of Diamond
Martin Kroeker
[Wien] mbj of Diamond
Saeid Jalali
[Wien] mbj of Diamond
Peter Blaha
[Wien] mbj of Diamond
Saeid Jalali
[Wien] mbj of Diamond
Peter Blaha
[Wien] mbj of Diamond
Saeid Jalali
[Wien] *** SPAM *** [5.7] Re: mbj of Diamond
Saeid Jalali
[Wien] spin orbit calculation
Mahmoud Farout
[Wien] spin orbit calculation
Peter Blaha
[Wien] accuracy problem after running x sgroup
shamik chakrabarti
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