February 2012 Archives by thread

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Starting: Wed Feb 1 04:25:36 CET 2012
Ending: Wed Feb 29 22:29:20 CET 2012
Messages: 277

• [Wien] band structure for spin orbit coupling   Yundi Quan
  • [Wien] band structure for spin orbit coupling   Peter Blaha
    • [Wien] [SPAM?] Lapw1 error   Artamonov Oleg
      • [Wien] [SPAM?] Lapw1 error   Laurence Marks
      • [Wien] [SPAM?] Lapw1 error   Artamonov Oleg
• [Wien] Error in det_lat_NSM(): the special conditions not satisfied   Peter Blaha
  • [Wien] Error in det_lat_NSM(): the special conditions not satisfied   Peter Blaha
• [Wien] which subjects should study with full potential and which should with psoudepotential?   meghdad saeedian
• [Wien] SPHBES - Error   Laurence Marks
  • [Wien] SPHBES - Error   Bouabdellah AZOUZA
• [Wien] the value of the band gap   sufyan
  • [Wien] the value of the band gap   Hong Jiang
• [Wien] Error in det_lat_NSM(): the special conditions not satisfied   B. Yanchitsky
• [Wien] errors in lapw   Bin Shao
  • [Wien] errors in lapw   Peter Blaha
    • [Wien] errors in lapw   Bin Shao
• [Wien] band structure   Saba Sabeti
  • [Wien] band structure   Gerhard Fecher
• [Wien] Solved lapw2 read_vec error   Gavin Abo
  • [Wien] Solved lapw2 read_vec error   arqum hashmi
  • [Wien] Solved lapw2 read_vec error   Laurence Marks
• [Wien] parallel geometry minimization   ali ghafari
• [Wien] GGA+SO for AFM NiO   bruce.tian
  • [Wien] GGA+SO for AFM NiO   Rocquefelte
    • [Wien] Calculation of the size of Fermi surface   EGUCHI Gaku
      • [Wien] Calculation of the size of Fermi surface   EGUCHI Gaku
      • [Wien] Error in BoltzTraP with non-centrosymmetric materials   EGUCHI Gaku
      • [Wien] Error in BoltzTraP with non-centrosymmetric materials   Fecher, Gerhard
      • [Wien] Error in BoltzTraP with non-centrosymmetric materials   EGUCHI Gaku
      • [Wien] Error in BoltzTraP with non-centrosymmetric materials   Fecher, Gerhard
      • [Wien] Error in BoltzTraP with non-centrosymmetric materials   Fecher, Gerhard
      • [Wien] Error in BoltzTraP with non-centrosymmetric materials   EGUCHI Gaku
      • [Wien] Error in BoltzTraP with non-centrosymmetric materials   EGUCHI Gaku
• [Wien] Problem in using 2Doptimization   vijaykumar gudelli
• [Wien] Reg:Boltztrap   Swetarekha Ram
  • [Wien] Reg:Boltztrap   Gregory Pomrehn
• [Wien] Decomposition of orbitals through ISPLIT in .qtl file   Brendan Arnold
  • [Wien] Decomposition of orbitals through ISPLIT in .qtl file   Peter Blaha
• [Wien] AIM Atoms in Molecules   Ali Allam
  • [Wien] AIM Atoms in Molecules   Laurence Marks
  • [Wien] CRITIC Software   Ali Allam
    • [Wien] CRITIC Software   Peter Blaha
• [Wien] compilation problem for the installation of wien2k   Madhav Ghimire
  • [Wien] compilation problem for the installation of wien2k   Ramkumar Thapa
  • [Wien] compilation problem for the installation of wien2k   Laurence Marks
• [Wien] Join my network on LinkedIn   Patricia Abdel Rahim via LinkedIn
• [Wien] initiation failed   xiao.jianping at bccms.uni-bremen.de
  • [Wien] initiation failed   Peter Blaha
    • [Wien] initiation failed   Lee, Yongbin [A LAB]
• [Wien] Wien Digest, Vol 75, Issue 2   xiao.jianping at bccms.uni-bremen.de
  • [Wien] Wien Digest, Vol 75, Issue 2   Laurence Marks
  • [Wien] Wien Digest, Vol 75, Issue 2   Zhiyong Zhu
• [Wien] GGA+SO for AFM NiO   bruce.tian
• [Wien] help required   arqum hashmi
  • [Wien] help required   Ghosh SUDDHASATTWA
    • [Wien] help required   arqum hashmi
      • [Wien] help required   Tomas Kana
      • [Wien] help required   arqum hashmi
      • [Wien] help required   Peter Blaha
      • [Wien] help required   arqum hashmi
      • [Wien] help required   Peter Blaha
• [Wien] GGA+SO for AFM NiO   Lyudmila Dobysheva
• [Wien] mBJ + U   Pablo de la Mora
  • [Wien] mBJ + U   Peter Blaha
    • [Wien] mBJ + U   Pablo de la Mora
• [Wien] Reg:structure generation   Swetarekha Ram
  • [Wien] Reg:structure generation   Stefaan Cottenier
• [Wien] lapwso crash   Nilton
  • [Wien] lapwso crash   Peter Blaha
    • [Wien] lapwso crash   Nilton
      • [Wien] lapwso crash   Gavin Abo
      • [Wien] lapwso crash   Nilton
      • [Wien] lapwso crash   Nilton
      • [Wien] lapwso crash   Gavin Abo
• [Wien] Fwd: email for support mailing list   Celine Hin
  • [Wien] Fwd: email for support mailing list   Peter Blaha
• [Wien] Suggestion for LOPW error   David Tompsett
  • [Wien] Suggestion for LOPW error   Laurence Marks
• [Wien] Problems observed in run scf cycles   Madhav Ghimire
  • [Wien] Problems observed in run scf cycles   Peter Blaha
• [Wien] hex2rhomb   ben amara imen
• [Wien] bug for Cs LO ?   Stefaan Cottenier
  • [Wien] bug for Cs LO ?   Peter Blaha
    • [Wien] bug for Cs LO ?   Stefaan Cottenier
      • [Wien] bug for Cs LO ?   Peter Blaha
      • [Wien] bug for Cs LO ?   Stefaan Cottenier
      • [Wien] bug for Cs LO ?   Fecher, Gerhard
• [Wien] mBJ conflicts with SO?   bruce.tian
  • [Wien] mBJ conflicts with SO?   Peter Blaha
• [Wien] help required   arqum hashmi
• [Wien] Time taken to run a 60 atom/cell program   Chee-Keong Tan
  • [Wien] Time taken to run a 60 atom/cell program   Laurence Marks
  • [Wien] Time taken to run a 60 atom/cell program   Ghosh SUDDHASATTWA
    • [Wien] Time taken to run a 60 atom/cell program   Laurence Marks
      • [Wien] Time taken to run a 60 atom/cell program   ckt209 at lehigh.edu
    • [Wien] Time taken to run a 60 atom/cell program   Peter Blaha
• [Wien] generating dispersion over the full Brillouin zone   Anna Toth
  • [Wien] generating dispersion over the full Brillouin zone   Peter Blaha
    • [Wien] generating dispersion over the full Brillouin zone   Anna Toth
• [Wien] Wien w2web-job   Celine Hin
• [Wien] mBJ conflicts with SO?   bruce.tian
  • [Wien] mBJ conflicts with SO?   Peter Blaha
• [Wien] RKMAX   Yundi Quan
  • [Wien] RKMAX   Stefaan Cottenier
    • [Wien] RKMAX   Yundi Quan
• [Wien] Full potential linearized-augmented-plane-wave calculations Article by Blaha et al.   Ghosh SUDDHASATTWA
  • [Wien] Full potential linearized-augmented-plane-wave calculations Article by Blaha et al.   tran at theochem.tuwien.ac.at
• [Wien] plz help   arqum hashmi
  • [Wien] plz help   Peter Blaha
    • [Wien] plz help   arqum hashmi
      • [Wien] plz help   Peter Blaha
      • [Wien] plz help   arqum hashmi
      • [Wien] plz help   arqum hashmi
      • [Wien] plz help   Peter Blaha
      • [Wien] plz help   arqum hashmi
      • [Wien] plz help   Peter Blaha
• [Wien] thin films   Antônio Vanbderlei dos Santos
  • [Wien] thin films   Peter Blaha
    • [Wien] thin films   Antônio Vanbderlei dos Santos
      • [Wien] thin films   Peter Blaha
      • [Wien] thin films   ahmad gharleghi
      • [Wien] thin films   Chinedu Ekuma
      • [Wien] thin films   Antônio Vanbderlei dos Santos
• [Wien] Reg: 2D Fermisurface plots   Swetarekha Ram
  • [Wien] Reg: 2D Fermisurface plots   Peter Blaha
• [Wien] REG: c/a Optimization   vijaykumar gudelli
  • [Wien] REG: c/a Optimization   Tomas Kana
    • [Wien] REG: c/a Optimization   vijaykumar gudelli
      • [Wien] REG: c/a Optimization   Fecher, Gerhard
      • [Wien] REG: c/a Optimization   vijaykumar gudelli
• [Wien] problems with plotting the diagrams of DOS, electron density   Zhou Bing
  • [Wien] problems with plotting the diagrams of DOS, electron density   Peter Blaha
    • [Wien] problems with plotting the diagrams of DOS, electron density   Zhou Bing
    • [Wien] problems with plotting the diagrams of DOS, electron density using rhoplot without gnuplot   Zhou Bing
      • [Wien] problems with plotting the diagrams of DOS, electron density using rhoplot without gnuplot   Peter Blaha
      • [Wien] problems with plotting the diagrams of DOS, electron density using rhoplot without gnuplot   Zhou Bing
      • [Wien] gnuplot   Zhou Bing
      • [Wien] gnuplot   Laurence Marks
      • [Wien] gnuplot   Zhou Bing
      • [Wien] rhoplot and gnuplot   Zhou Bing
      • [Wien] the problem of :rho2   Zhou Bing
      • [Wien] the problem of :rho2   Peter Blaha
      • [Wien] the problem of :rho2   Zhou Bing
      • [Wien] electron density map and electron difference density map for TiC   Zhou Bing
      • [Wien] electron density map vs electron difference   Zhou Bing
      • [Wien] electron density map vs electron difference   Rocquefelte
      • [Wien] electron density map vs electron difference   Zhou Bing
• [Wien] Reg: Bader analysis   Swetarekha Ram
  • [Wien] Reg: Bader analysis   Laurence Marks
• [Wien] PhD position at the TU Vienna (only for females)   Peter Blaha
• [Wien] cannot find EFG   Yundi Quan
  • [Wien] cannot find EFG   Peter Blaha
  • [Wien] cannot find EFG   Peter Blaha
• [Wien] Question about units of bulk modulus B0   Maxim Rakitin
  • [Wien] Question about units of bulk modulus B0   tran at theochem.tuwien.ac.at
    • [Wien] Question about units of bulk modulus B0   Maxim Rakitin
  • [Wien] Question about units of bulk modulus B0   Peter Blaha
• [Wien] problem regarding PDOS   Pooja Rana
  • [Wien] problem regarding PDOS   Peter Blaha
• [Wien] lda+u calculation   Yundi Quan
  • [Wien] lda+u calculation   Laurence Marks
    • [Wien] lda+u calculation   Yundi Quan
      • [Wien] lda+u calculation   Laurence Marks
      • [Wien] lda+u calculation   Yundi Quan
      • [Wien] lda+u calculation   Fecher, Gerhard
      • [Wien] lda+u calculation   Yundi Quan
      • [Wien] lda+u calculation   Fecher, Gerhard
• [Wien] mbj and SO conflict?   bruce.tian
  • [Wien] mbj and SO conflict?   Chinedu Ekuma
  • [Wien] mbj and SO conflict?   Peter Blaha
• [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Madhav Ghimire
  • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Jose Alfredo Camargo Martinez
    • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Madhav Ghimire
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Jose Alfredo Camargo Martinez
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Madhav Ghimire
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Ghosh SUDDHASATTWA
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Madhav Ghimire
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Ghosh SUDDHASATTWA
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Madhav Ghimire
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Fecher, Gerhard
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Madhav Ghimire
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Fecher, Gerhard
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Stefaan Cottenier
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   Ghosh SUDDHASATTWA
      • [Wien] Problems in generating case.struct using shell script and overlapping of spheres with error in lapw1   L D
• [Wien] Reg: Fermi velocity and plasma frequency   Swetarekha Ram
• [Wien] L2main - QTL-B Error with spin-orbit caluclation   sufyan
  • [Wien] L2main - QTL-B Error with spin-orbit caluclation   Ghosh SUDDHASATTWA
    • [Wien] L2main - QTL-B Error with spin-orbit caluclation   Laurence Marks
      • [Wien] L2main - QTL-B Error with spin-orbit caluclation   sufyan
      • [Wien] L2main - QTL-B Error with spin-orbit caluclation   Laurence Marks
    • [Wien] L2main - QTL-B Error with spin-orbit caluclation   sufyan
• [Wien] supercell   Saba Sabeti
  • [Wien] supercell   Parker, David S.
    • [Wien] supercell   Laurence Marks
      • [Wien] supercell   Fecher, Gerhard
• [Wien] scf error (supercell)   Saba Sabeti
  • [Wien] scf error (supercell)   Gavin Abo
• [Wien] Reg: fermi velocity   Swetarekha Ram
• [Wien] CRITIC Problem   Ali Allam
• [Wien] REG: Fermi fermi velocity   Swetarekha Ram
  • [Wien] REG: Fermi fermi velocity   Peter Blaha
  • [Wien] REG: Fermi fermi velocity   swati chaudhury
  • [Wien] REG: Fermi fermi velocity   EGUCHI Gaku
• [Wien] (no subject)   Saba Sabeti
  • [Wien] (no subject)   Laurence Marks
• [Wien] calculating Ionic charge   puday at iitk.ac.in
  • [Wien] calculating Ionic charge   Laurence Marks
• [Wien] scf error (supercell)   Saba Sabeti
  • [Wien] scf error (supercell)   Peter Blaha
• [Wien] Spin polarization calculation of Pauli Paramagnet   Viktor Zano
  • [Wien] Spin polarization calculation of Pauli Paramagnet   Peter Blaha
    • [Wien] Spin polarization calculation of Pauli Paramagnet   Viktor Zano
      • [Wien] Spin polarization calculation of Pauli Paramagnet   Stefaan Cottenier
• [Wien] Join my network on LinkedIn   Manickam Mahendran via LinkedIn
• [Wien] how to define magnetic moments in directions other than Z-axis   محمد ارشد فرحان
  • [Wien] how to define magnetic moments in directions other than Z-axis   Rocquefelte
• [Wien] mbj and SO conflict?   bruce.tian
  • [Wien] mbj and SO conflict?   Peter Blaha
• [Wien] Spin-orbit coupling in magnetic compounds   Madhav Ghimire
  • [Wien] Spin-orbit coupling in magnetic compounds   Peter Blaha
    • [Wien] Spin-orbit coupling in magnetic compounds   Madhav Ghimire
      • [Wien] Spin-orbit coupling in magnetic compounds   Peter Blaha
      • [Wien] Spin-orbit coupling in magnetic compounds   Madhav Ghimire
• [Wien] ubuntu "hup" command error?   aeljarrat at el.ub.edu
  • [Wien] ubuntu "hup" command error?   Gavin Abo
• [Wien] plz help required   arqum hashmi
  • [Wien] plz help required   Peter Blaha
    • [Wien] plz help required   arqum hashmi
      • [Wien] plz help required   Laurence Marks
      • [Wien] plz help required   arqum hashmi
      • [Wien] plz help required   Peter Blaha
      • [Wien] plz help required   arqum hashmi
• [Wien] SP calculations for paramegnets?   Viktor Zano
• [Wien] Wien2k mpi execution   Celine Hin
  • [Wien] Wien2k mpi execution   Laurence Marks
  • [Wien] Wien2k mpi execution   Peter Blaha
• [Wien] band structure   Saba Sabeti
  • [Wien] band structure   Rocquefelte
• [Wien] so calculation error   Yundi Quan
• [Wien] Wien2k_11 ORB execution   César de la Fuente
  • [Wien] Wien2k_11 ORB execution   Laurence Marks
    • [Wien] Wien2k_11 ORB execution   Cesar
      • [Wien] Wien2k_11 ORB execution   Laurence Marks
      • [Wien] Wien2k_11 ORB execution   Peter Blaha
      • [Wien] Wien2k_11 ORB execution   Cesar
      • [Wien] Wien2k_11 ORB execution   Peter Blaha
      • [Wien] Wien2k_11 ORB execution   César de la Fuente
• [Wien] mbj+SO of NiO   bruce.tian
• [Wien] single particle total energy   Игорь Нечаев
• [Wien] supercell   علاء عبد الحميد
• [Wien] error cycle 2   Antônio Vanbderlei dos Santos
  • [Wien] DOS map for TiC   Zhou Bing
    • [Wien] DOS map for TiC   Rocquefelte
      • [Wien] DOS map for TiC   Rocquefelte
      • [Wien] DOS map for TiC   Zhou Bing
      • [Wien] problem of w2web   Zhou Bing
      • [Wien] problem of w2web   Rocquefelte
      • [Wien] problem of w2web   Zhou Bing
  • [Wien] error cycle 2   Rocquefelte
• [Wien] Please Help me!   rang sabz
• [Wien] Just some corrections!   rang sabz
• [Wien] Supercell stops   علاء عبد الحميد
  • [Wien] Supercell stops   Peter Blaha
• [Wien] join_vectorfiles bug fix   Eamon McDermott
• [Wien] Invitation to connect on LinkedIn   Ram Kumar Thapa via LinkedIn
• [Wien] Some confirmation regarding SO calculation   Vinayak Mishra
  • [Wien] Some confirmation regarding SO calculation   Peter Blaha
• [Wien] problem in making case.vectorup_1   Saba k
  • [Wien] problem in making case.vectorup_1   Peter Blaha
    • [Wien] problem in making case.vectorup_1   Samaneh J
      • [Wien] problem in making case.vectorup_1   Peter Blaha
      • [Wien] problem in making case.vectorup_1   Samaneh J
• [Wien] Lapw1   ben amara imen
  • [Wien] Lapw1   Laurence Marks
• [Wien] The band structure of CuAlO2- SG 166   Osama Yassin
  • [Wien] The band structure of CuAlO2- SG 166   Peter Blaha

Last message date: Wed Feb 29 22:29:20 CET 2012
Archived on: Wed Feb 29 22:29:50 CET 2012

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