wien
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[Wien] [SPAM?] area representative wanted!
s...@theochem.tuwien.ac.at
[Wien] [SPAM?] attention! work from home position available
s...@theochem.tuwien.ac.at
[Wien] ifort 12.0.2 20110112 -- safe?
Laurence Marks
[Wien] ifort 12.0.2 20110112 -- safe?
Peter Blaha
[Wien] About the warning: R0 for atom 1 Z= 28.00 too big
bruce.tian
[Wien] About the warning: R0 for atom 1 Z= 28.00 too big
Tetyana Zayar
[Wien] ELNES
bruce.tian
[Wien] problem with running SCF
yedu kondalu
[Wien] How to apply LSDA+U
TUX naughty
[Wien] How to apply LSDA+U
Ricardo Faccio
[Wien] OS bug/inconveniece with mkl thread/mpi conflicts
Laurence Marks
[Wien] OS bug/inconveniece with mkl thread/mpi conflicts
Peter Blaha
[Wien] OS bug/inconveniece with mkl thread/mpi conflicts
Laurence Marks
[Wien] OS bug/inconveniece with mkl thread/mpi conflicts
Laurence Marks
[Wien] Runtime problem with lapw1_mpi
David Tompsett
[Wien] Runtime problem with lapw1_mpi
Laurence Marks
[Wien] How Can I apply Engel-Vosko scheme
Iman Evazzade
[Wien] How Can I apply Engel-Vosko scheme
t...@theochem.tuwien.ac.at
[Wien] How Can I apply Engel-Vosko scheme
Peter Blaha
[Wien] Ubuntu premature STOP during initialize calc.
iaki island
[Wien] Ubuntu premature STOP during initialize calc.
Laurence Marks
[Wien] question about wien2k v 10.1 R0 too big warning message
Jing-Han Chen
[Wien] question about wien2k v 10.1 R0 too big warning message
Peter Blaha
[Wien] Size of Supercell, Interaction Range--->Coordination Shell in Phonon
Ghosh SUDDHASATTWA
[Wien] Size of Supercell, Interaction Range--->Coordination Shell in Phonon
Peter Blaha
[Wien] Linearization of Low-lying s-state
David Tompsett
[Wien] Linearization of Low-lying s-state
Laurence Marks
[Wien] Linearization of Low-lying s-state
Peter Blaha
[Wien] vec2old_lapw
Tomohiko Tasaka
[Wien] vec2old_lapw
Laurence Marks
[Wien] vec2old_lapw
Tomohiko Tasaka
[Wien] vec2old_lapw
Peter Blaha
[Wien] vec2old_lapw
davgumo
[Wien] vec2old_lapw
Tomohiko Tasaka
[Wien] x dstart not running
hosiyar moond
[Wien] x dstart not running
David
[Wien] Normalization of the XAS spectra
Lily Anh
[Wien] Normalization of the XAS spectra
Peter Blaha
[Wien] Looking for maintainers of phonopy wien2k interface
Atz Togo
[Wien] WIEN2k workshop at Penn state
Peter Blaha
[Wien] Empty lattice for testing purposes
Fabio Bernardini
[Wien] Empty lattice for testing purposes
Peter Blaha
[Wien] Empty lattice for testing purposes
Fabio Bernardini
[Wien] segmantation fault
merikhi razika
[Wien] Parallelization
Mojtaba Zareii
[Wien] Parallelization
Laurence Marks
[Wien] A problem about the parallel compilation
王家奎
[Wien] A problem about the parallel compilation
Maxim Rakitin
[Wien] A problem about the parallel compilation
Maxim Rakitin
[Wien] installation error
hassan ariyani
[Wien] problem in optic BNxP1-x compound
Hajari Nejatii
[Wien] problem in optic BNxP1-x compound
Peter Blaha
[Wien] About FS plotting (2)
Artamonov Oleg
[Wien] About FS plotting (2)
Peter Blaha
[Wien] continue to restart WIEN2K from an existing charge density
guohuaihong
[Wien] continue to restart WIEN2K from an existing charge density
Stefaan Cottenier
[Wien] continue to restart WIEN2K from an existing charge density
guohuaihong
[Wien] problem in optic
Hajari Nejatii
[Wien] Wien2k compilation with gfortran compiler
bobli rekharam
[Wien] Wien2k compilation with gfortran compiler
viel...@onid.orst.edu
[Wien] Wien2k compilation with fortran-compiler
bobli rekharam
[Wien] WIEN2k workshop 2011
Peter Blaha
[Wien] WIEN2k workshop 2011
Dr Qi Wen YAO
[Wien] Apologies for the unintentional email sent to the list re WIEN2k workshop 2011
Dr Qi Wen YAO
[Wien] Orientation of EFG tensor
Jair C. C. Freitas
[Wien] Orientation of EFG tensor
Stefaan Cottenier
[Wien] Wien2k
bobli rekharam
[Wien] Wien2k
Peter Blaha
[Wien] [SPAM?] community representatives wanted!
rol...@theochem.tuwien.ac.at
[Wien] 'LOPW' - Plane waves exhausted
Volodymyr Svitlyk
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
[Wien] 'LOPW' - Plane waves exhausted
Volodymyr Svitlyk
[Wien] 'LOPW' - Plane waves exhausted
Min Wook OH
[Wien] 'LOPW' - Plane waves exhausted
Gerhard Fecher
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
[Wien] 'LOPW' - Plane waves exhausted
Gerhard Fecher
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
[Wien] 'LOPW' - Plane waves exhausted
Florian Meirer
[Wien] 'LOPW' - Plane waves exhausted
Florian Meirer
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
[Wien] 'LOPW' - Plane waves exhausted
Florian Meirer
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
[Wien] 'LOPW' - Plane waves exhausted
Florian Meirer
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
[Wien] 'LOPW' - Plane waves exhausted
Florian Meirer
[Wien] 'LOPW' - Plane waves exhausted
Laurence Marks
[Wien] 'LOPW' - Plane waves exhausted
Florian Meirer
[Wien] 'LOPW' - Plane waves exhausted
Peter Blaha
[Wien] 'LOPW' - Plane waves exhausted
Florian Meirer
[Wien] case.psink file and drawing wavefunctions
Mohamad Monazam
[Wien] A problem with icc and wien2k
Laurence Marks
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] A problem with icc and wien2k
Laurence Marks
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] A problem with icc and wien2k
Gerhard Fecher
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] A problem with icc and wien2k
EGUCHI Gaku
[Wien] A problem with icc and wien2k
Laurence Marks
[Wien] A problem with icc and wien2k
EGUCHI Gaku
[Wien] A problem with icc and wien2k
Peter Blaha
[Wien] A problem with icc and wien2k
EGUCHI Gaku
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] A problem with icc and wien2k
Peter Blaha
[Wien] A problem with icc and wien2k
Eamon McDermott
[Wien] A problem with icc and wien2k
Peter Blaha
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] A problem with icc and wien2k
Laurence Marks
[Wien] A problem with icc and wien2k
Eamon McDermott
[Wien] A problem with icc and wien2k
EGUCHI Gaku
[Wien] A problem with icc and wien2k
Gerhard Fecher
[Wien] A problem with icc and wien2k
EGUCHI Gaku
[Wien] A problem with icc and wien2k
Ramkumar Thapa
[Wien] A warning or a problem with icc and wien2k
César de la Fuente
[Wien] inclmcopy setup
王 昊
[Wien] inclmcopy setup
Peter Blaha
[Wien] inclmcopy setup
hao wang
[Wien] inclmcopy setup
Saeid Jalali
[Wien] inclmcopy setup
Saeid Jalali
[Wien] inclmcopy setup
Peter Blaha
[Wien] ZnO calculation failed in lapw1
viel...@onid.orst.edu
[Wien] ZnO calculation failed in lapw1
viel...@onid.orst.edu
[Wien] Counting the numer of electrons / slightly metallic tail crossing EF
Son Won-joon
[Wien] Counting the numer of electrons / slightly metallic tail crossing EF
Hua Wu
[Wien] [SPAM?] Re: Counting the numer of electrons / slightly metallic tail crossing EF
Peter Blaha
[Wien] [SPAM?] Re: Counting the numer of electrons / slightly metallic tail crossing EF
Son Won-joon
[Wien] [SPAM?] Re: Counting the numer of electrons / slightly metallic tail crossing EF
Son Won-joon
[Wien] Interstitial hybridization
Andres E Becerra-Toledo
[Wien] Interstitial hybridization
Pavel Novak
[Wien] installing linux in icore3 systems
Ramkumar Thapa
[Wien] installing linux in icore3 systems
Laurence Marks
[Wien] installing linux in icore3 systems
Dr Qi Wen YAO
[Wien] installing linux in icore3 systems
Ramkumar Thapa
[Wien] [Q] Counting the numer of electrons / slight metallic states
Son Won-joon
[Wien] how to read the format of case.energy files
Volodymyr Svitlyk
[Wien] why case.energy is empty
guohuaihong
[Wien] why case.energy is empty
Peter Blaha
[Wien] Wien2k 10 with Gnuplot 4.4.0
viel...@onid.orst.edu
[Wien] L2main - Error
Niloofar Zarifi
[Wien] Phonon difficulties
pu...@iitk.ac.in
[Wien] Phonon difficulties
Ghosh SUDDHASATTWA
[Wien] Phonon difficulties
Peter Blaha
[Wien] A problem with icc and wien2k
César de la Fuente
[Wien] Suggestions on PHONON Calculation 4
Ghosh SUDDHASATTWA
[Wien] Suggestions on PHONON Calculation 4
Peter Blaha
[Wien] Suggestions on PHONON Calculation 4
Ghosh SUDDHASATTWA
[Wien] cholesky INFO error in Mn doped Bi supercell calculation
shamik chakrabarti
[Wien] cholesky INFO error in Mn doped Bi supercell calculation
Laurence Marks
[Wien] cholesky INFO error in Mn doped Bi supercell calculation
shamik chakrabarti
[Wien] cholesky INFO error in Mn doped Bi supercell calculation
Stefaan Cottenier
[Wien] cholesky INFO error in Mn doped Bi supercell calculation
Rocquefelte
[Wien] optimize.job script for mBJ functional
Francisco Garcia
[Wien] optimize.job script for mBJ functional
Peter Blaha
[Wien] optimize.job script for mBJ functional
pascal boulet
[Wien] inclusion of LYBP or any in exchange correlation for biological systems
physics phys
[Wien] inclusion of LYBP or any in exchange correlation for biological systems
t...@theochem.tuwien.ac.at
[Wien] Suggestions on PHONON Calculations 3
Ghosh SUDDHASATTWA
[Wien] Suggestions on PHONON Calculations 3
Peter Blaha
[Wien] local rotation matrix in QTL program
Masao ARAI
[Wien] an doubt in the analysis of Density of States
shamik chakrabarti
[Wien] Fwd: an doubt in the analysis of Density of States
shamik chakrabarti
[Wien] Fwd: an doubt in the analysis of Density of States
Gerhard Fecher
[Wien] lapw0_mpi hangs
Markus Kaukonen
[Wien] lapw0_mpi hangs
Laurence Marks
[Wien] lapw0_mpi hangs
Markus Kaukonen
[Wien] About FS plotting
Artamonov Oleg
[Wien] About FS plotting
Peter Blaha
[Wien] About FS plotting
Artamonov Oleg
[Wien] lapw0_mpi hangs
Peter Blaha
[Wien] spin-orbit calculation with mbj
Francisco Garcia
[Wien] spin-orbit calculation with mbj
t...@theochem.tuwien.ac.at
[Wien] Identification of Non-Equivalent Atoms in Hellmann-Feynman Force File
Ghosh SUDDHASATTWA
[Wien] Identification of Non-Equivalent Atoms in Hellmann-Feynman Force File
Peter Blaha
[Wien] Identification of Non-Equivalent Atoms in Hellmann-Feynman Force File
Ghosh SUDDHASATTWA
[Wien] Suggestions on Hellmann-Feynman File: Forces (2)
Ghosh SUDDHASATTWA
[Wien] Segmentation fault
andyalex
[Wien] Segmentation fault
Peter Blaha
[Wien] segmentation fault
Mojtaba Zareii
[Wien] segmentation fault
Peter Blaha
[Wien] How to get WIEN2PHON code?
Kiseok Chang
[Wien] How to get WIEN2PHON code?
Ghosh SUDDHASATTWA
[Wien] How to get WIEN2PHON code?
Peter Blaha
[Wien] fermi surface including spin-orbital interaction
liujuan...@sina.com
[Wien] fermi surface including spin-orbital interaction
Jian-Xin Zhu
[Wien] coordinate system
YONGBIN LEE
[Wien] coordinate system
Peter Blaha
[Wien] coordinate system
YONGBIN LEE
[Wien] c/a optimization error
pu...@iitk.ac.in
[Wien] coordinate system
Peter Blaha
[Wien] WARNING : Please restart anew from final position
Kakhaber Jandieri
[Wien] WARNING : Please restart anew from final position
Laurence Marks
[Wien] WARNING : Please restart anew from final position
Kakhaber Jandieri
[Wien] WARNING : Please restart anew from final position
Laurence Marks
[Wien] WARNING : Please restart anew from final position
Kakhaber Jandieri
[Wien] Suggestions on the Hellmann-Feynman Force File : analyse_phonon_lapw
Ghosh SUDDHASATTWA
[Wien] Suggestions on the Hellmann-Feynman Force File : analyse_phonon_lapw
Peter Blaha
[Wien] Suggestions on the Hellmann-Feynman Force File: analyse_phonon_lapw
Ghosh SUDDHASATTWA
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