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[Wien] structeditor load struct problem with octave
Chinedu Ekuma
[Wien] structeditor load struct problem with octave
Stefan Löffler
[Wien] Choice of magnetization axis in SO calculation
Marcos Veríssimo Alves
[Wien] How to determine magnetic configuration
Pylak Maciej
[Wien] How to determine magnetic configuration
Stefaan Cottenier
[Wien] How to plot spin-polarized band structure with spin-orbital coupling?
yhzhao
[Wien] How to plot spin-polarized band structure with spin-orbital coupling?
Peter Blaha
[Wien] How to plot spin-polarized band structure with spin-orbital coupling?
yhzhao
[Wien] How to plot spin-polarized band structure with spin-orbital coupling?
Peter Blaha
[Wien] How to plot spin-polarized band structure with spin-orbital coupling?
yhzhao
[Wien] How to obtain spin-polarized band gap with spin-orbital coupling?
lh...@sohu.com
[Wien] optic, some wrong parameters
Pablo de la Mora
[Wien] optic, some wrong parameters
Peter Blaha
[Wien] take long time to plot DOS or electron density result.
Donghui Guo
[Wien] Question on generating struct file given the distance between layers
K.V.P.Lata
[Wien] Question on generating struct file given the distance between layers
Peter Blaha
[Wien] magnetic moment
physics phys
[Wien] Fwd: magnetic moment
physics phys
[Wien] Fwd: magnetic moment
Gerhard Fecher
[Wien] magnetic moment
Lee, Yongbin [A LAB]
[Wien] magnetic moment
physics phys
[Wien] Bands above the Fermi edge
Lukasz Plucinski
[Wien] Bands above the Fermi edge
Rocquefelte
[Wien] Bands above the Fermi edge
yasir saeed
[Wien] Bands above the Fermi edge
Rocquefelte
[Wien] Doubt in mpi running of Wien2K
Marcos Veríssimo Alves
[Wien] Doubt in mpi running of Wien2K
Peter Blaha
[Wien] Doubt in mpi running of Wien2K
Marcos Veríssimo Alves
[Wien] error message in mini.error file
celhin
[Wien] error message in mini.error file
Laurence Marks
[Wien] LDA+U changed between the versions?
mazin
[Wien] LDA+U changed between the versions?
Jian-Xin Zhu
[Wien] LDA+U changed between the versions?
Laurence Marks
[Wien] LDA+U changed between the versions?
Jian-Xin Zhu
[Wien] LDA+U changed between the versions?
Laurence Marks
[Wien] Fail to open pdf-version within the w2web window.
Jian-Xin Zhu
[Wien] LDA+U changed between the versions?
mazin
[Wien] LDA+U changed between the versions?
Jian-Xin Zhu
[Wien] LDA+U changed between the versions?
mazin
[Wien] LDA+U changed between the versions?
Laurence Marks
[Wien] LDA+U changed between the versions?
mazin
[Wien] LDA+U changed between the versions?
Peter Blaha
[Wien] LDA+U changed between the versions?
mazin
[Wien] LDA+U changed between the versions?
Laurence Marks
[Wien] LDA+U changed between the versions?
mazin
[Wien] LDA+U changed between the versions?
Peter Blaha
[Wien] LDA+U changed between the versions?
mazin
[Wien] Potential in a interstitial
Artamonov Oleg
[Wien] Potential in a interstitial
Oleg Rubel
[Wien] Potential in a interstitial
Artamonov Oleg
[Wien] Potential in a interstitial
Oleg Rubel
[Wien] help: EFERMI OUT OF ENERGY RANGE
arlonni
[Wien] help: EFERMI OUT OF ENERGY RANGE
Peter Blaha
[Wien] help: EFERMI OUT OF ENERGY RANGE
arlonni
[Wien] About the k-points generated by kgen
Marcos Veríssimo Alves
[Wien] problem in plotting result by gnuplot
Donghui Guo
[Wien] problem in plotting result by gnuplot
Tomas Kana
[Wien] problem in plotting result by gnuplot
Tomohiko Tasaka
[Wien] problem in plotting result by gnuplot
Donghui Guo
[Wien] problem in plotting result by gnuplot
Jian-Xin Zhu
[Wien] problem in plotting result by gnuplot
Tomohiko Tasaka
[Wien] problem in plotting result by gnuplot
Jian-Xin Zhu
[Wien] problem in plotting result by gnuplot
Peter Blaha
[Wien] Changes in case_xx.def files
Marcos Veríssimo Alves
[Wien] Changes in case_xx.def files
Laurence Marks
[Wien] Changes in case_xx.def files
Marcos Veríssimo Alves
[Wien] Changes in case_xx.def files
Laurence Marks
[Wien] Changes in case_xx.def files
Laurence Marks
[Wien] Changes in case_xx.def files
Marcos Veríssimo Alves
[Wien] About WORK FUNCTION CALCULATION FOR METAL SURFACE
WangJianGuang
[Wien] About WORK FUNCTION CALCULATION FOR METAL SURFACE
Laurence Marks
[Wien] mBJ potential for molecules?
Ricardo Faccio
[Wien] mBJ potential for molecules?
Peter Blaha
[Wien] mBJ potential for molecules?
Ricardo Faccio
[Wien] problem in k-parallel execution
mohaddeseh abbasnejad
[Wien] Error in parallel execution
Marcos Veríssimo Alves
[Wien] Error in parallel execution
Stefaan Cottenier
[Wien] Error in parallel execution
Laurence Marks
[Wien] Error in parallel execution
Marcos Veríssimo Alves
[Wien] Error in parallel execution
Laurence Marks
[Wien] Error in parallel execution
Marcos Veríssimo Alves
[Wien] Error in parallel execution
Laurence Marks
[Wien] Error in parallel execution
Marcos Veríssimo Alves
[Wien] Error in parallel execution
Marcos Veríssimo Alves
[Wien] case.indm or case.indmc
Ahmad Ranjbar
[Wien] case.indm or case.indmc
Rocquefelte
[Wien] How to decrease interstitial charges?
Ahmad Ranjbar
[Wien] How to decrease interstitial charges?
Laurence Marks
[Wien] How to decrease interstitial charges?
Ahmad Ranjbar
[Wien] How to decrease interstitial charges?
Rocquefelte
[Wien] How to decrease interstitial charges?
Ahmad Ranjbar
[Wien] WARNING: Please restart anew from final position
Ghosh SUDDHASATTWA
[Wien] problem with parallel version
pascal boulet
[Wien] problem with parallel version
Laurence Marks
[Wien] Doubt in calculation with spin-orbit interaction
Marcos Veríssimo Alves
[Wien] Doubt in calculation with spin-orbit interaction
Rocquefelte
[Wien] Doubt in calculation with spin-orbit interaction
Stefaan Cottenier
[Wien] Doubt in calculation with spin-orbit interaction
Marcos Veríssimo Alves
[Wien] WARNING in case.scf
Marcos Veríssimo Alves
[Wien] WARNING in case.scf
Laurence Marks
[Wien] mBJ + U ?
wanxiang feng
[Wien] mBJ + U ?
F. Tran
[Wien] Problems in parallel jobs
bothina hamad
[Wien] Problems in parallel jobs
Laurence Marks
[Wien] Problems in parallel jobs
Laurence Marks
[Wien] Problems in parallel jobs
bothina hamad
[Wien] Problems in parallel jobs
Laurence Marks
[Wien] mBJ + U ?
wanxiang feng
[Wien] in1_st file
Marcos Veríssimo Alves
[Wien] in1_st file
Rocquefelte
[Wien] in1_st file
Marcos Veríssimo Alves
[Wien] in1_st file
Rocquefelte
[Wien] in1_st file
Marcos Veríssimo Alves
[Wien] in1_st file
Rocquefelte
[Wien] in1_st file
Marcos Veríssimo Alves
[Wien] Request for mixing test cases
Laurence Marks
[Wien] About recent bugs
Marcos Veríssimo Alves
[Wien] Bug in kgen?
mazin
[Wien] Bug in kgen?
Peter Blaha
[Wien] 'Anisotropic hyperfine parameters'
Ahmad Ranjbar
[Wien] 'Anisotropic hyperfine parameters'
Stefaan Cottenier
[Wien] 'Anisotropic hyperfine parameters'
Peter Blaha
[Wien] tetra dntetra.def failed
Seyed Mahdy Baizaee
[Wien] tetra dntetra.def failed
Rocquefelte
[Wien] ROTDEF-error
Daniel Meljanac
[Wien] ROTDEF-error
Stefaan Cottenier
[Wien] ROTDEF-error
Daniel Meljanac
[Wien] calculation of U
physics phys
[Wien] FW: Error in lapw_mini
Ghosh SUDDHASATTWA
[Wien] FW: Error in lapw_mini
Stefaan Cottenier
[Wien] FW: Error in lapw_mini
Ghosh SUDDHASATTWA
[Wien] FW: Error in lapw_mini
Ghosh SUDDHASATTWA
[Wien] FW: Error in lapw_mini
Rocquefelte
[Wien] FW: Error in lapw_mini
Ghosh SUDDHASATTWA
[Wien] : Error in lapw_mini
Tomas Kana
[Wien] : Error in lapw_mini
Ghosh SUDDHASATTWA
[Wien] : Error in lapw_mini
Rocquefelte
[Wien] : Error in lapw_mini
Ghosh SUDDHASATTWA
[Wien] Error in lapw_mini
Ghosh SUDDHASATTWA
[Wien] Error in lapw_mini
Rocquefelte
[Wien] Error in lapw_mini
Ghosh SUDDHASATTWA
[Wien] Error in lapw_mini
Rocquefelte
[Wien] calculations of monoclinic and triclinic systems
Nirpendra Singh
[Wien] calculations of monoclinic and triclinic systems
E.A.Moore
[Wien] c/a optimization
shamik chakrabarti
[Wien] c/a optimization
Peter Blaha
[Wien] c/a optimization
shamik chakrabarti
[Wien] Fwd: c/a optimization
shamik chakrabarti
[Wien] wave function information
Zhiyong Zhang
[Wien] wave function information
Peter Blaha
[Wien] wave function information
Ramkumar Thapa
[Wien] TELNES and Euler angles (again)
篠田 安弘
[Wien] Spin Orbit Coupling and Force Minimization.
Ghosh SUDDHASATTWA
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
shamik chakrabarti
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
swati chaudhury
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
E.A.Moore
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
Lyudmila V. Dobysheva
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
E.A.Moore
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
Kakhaber Jandieri
[Wien] Interstitial N-N pair in GaP supercell
E.A.Moore
[Wien] mini
celhin
[Wien] Interstitial N-N pair in GaP supercell
Peter Blaha
[Wien] w2web + lava queuing system
celhin
[Wien] w2web + lava queuing system
celhin
[Wien] Clarification on min_lapw
Ghosh SUDDHASATTWA
[Wien] Clarification on min_lapw
Ghosh SUDDHASATTWA
[Wien] Questions on using meta-GGA
yuning wu
[Wien] Questions on using meta-GGA
Peter Blaha
[Wien] Space Group 204:92 atoms per unit cell
Ghosh SUDDHASATTWA
[Wien] Erro r in running x joint
Soumyajit Sarkar
[Wien] enthalpy of formation
CARMEN
[Wien] enthalpy of formation
Stefaan Cottenier
[Wien] enthalpy of formation
Sherif Yehia
[Wien] enthalpy of formation
E.A.Moore
[Wien] P21/c or space group 11
Sherif Yehia
[Wien] parallel error
bothina hamad
[Wien] LAPW2 crashed in parallel mode
Mohamad Monazam
[Wien] LAPW2 crashed in parallel mode
Peter Blaha
[Wien] Information on Space Group Number 12 C2/m Symmetry
Ghosh SUDDHASATTWA
[Wien] sh: line 22: /root/wien2k/x: Permission denied
susanta mohanta
[Wien] sh: line 22: /root/wien2k/x: Permission denied
Peter Blaha
[Wien] volume optimization
sandeep chettri
[Wien] volume optimization
Ghosh SUDDHASATTWA
[Wien] volume optimization
Matthew Stream
[Wien] volume optimization
t...@theochem.tuwien.ac.at
[Wien] volume optimization
Matthew Stream
[Wien] volume optimization
t...@theochem.tuwien.ac.at
[Wien] volume optimization
Matthew Stream
[Wien] volume optimization
Zsolt Rak
[Wien] volume optimization
Rocquefelte
[Wien] volume optimization
Laurence Marks
[Wien] volume optimization
Zsolt Rak
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