November 2013 Archives by thread

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Starting: Fri Nov 1 04:49:24 CET 2013
Ending: Sat Nov 30 21:06:48 CET 2013
Messages: 179

• [Wien] Error in lapw2 running DOS calculation in parallel mode.   Yedu Kondalu
• [Wien] Regarding RMT   kalsoom Khan
  • [Wien] Regarding RMT   Oleg Rubel
  • [Wien] Regarding RMT   Stefaan Cottenier
• [Wien] lapwdm error in runsp_c_lapw -so -orb   inukai manabu
  • [Wien] lapwdm error in runsp_c_lapw -so -orb   Gavin Abo
    • [Wien] lapwdm error in runsp_c_lapw -so -orb   Peter Blaha
• [Wien] (no subject)   mostefa djermouni
  • [Wien] Spontaneous polarization with Berry phase method   mostefa djermouni
    • [Wien] Spontaneous polarization with Berry phase method   Oleg Rubel
• [Wien] Refenence for LSDA functional   sonusharma at iitmandi.ac.in
  • [Wien] Refenence for LSDA functional   tran at theochem.tuwien.ac.at
• [Wien] (no subject)   Karima Karim
• [Wien] hyperfine parameters   刘敏
  • [Wien] hyperfine parameters   Stefaan Cottenier
• [Wien] SELECT or QTL-B error for Al(111) slab   phlhj phlhj
  • [Wien] SELECT or QTL-B error for Al(111) slab   Peter Blaha
    • [Wien] SELECT or QTL-B error for Al(111) slab   phlhj phlhj
• [Wien] How to make more cpu participate in paralle processes   马亚坤
  • [Wien] How to make more cpu participate in paralle processes   Michael Sluydts
    • [Wien] How to make more cpu participate in paralle processes   Oleg Rubel
• [Wien] from xsf file to spherical harmonics   Yundi Quan
  • [Wien] from xsf file to spherical harmonics   Peter Blaha
• [Wien] case.energyup and case.energydn files   sonusharma at iitmandi.ac.in
  • [Wien] case.energyup and case.energydn files   Peter Blaha
    • [Wien] Egap =0 in outputtrans file for spin down case   sonusharma at iitmandi.ac.in
• [Wien] How can I get value of spin-orbit coupling strength in wien2k?   Santu Baidya
  • [Wien] How can I get value of spin-orbit coupling strength in wien2k?   Peter Blaha
• [Wien] error in Lapw1 Seclr4 -PORTF(Scalapack/lapack) failed   berber mo
• [Wien] Born effective charge in GaN   Oleg Rubel
  • [Wien] Born effective charge in GaN   Sheikh Jamil Ahmed
• [Wien] (no subject)   Karima Karim
  • [Wien] (no subject)   Peter Blaha
• [Wien] (no subject)   Karima Karim
• [Wien] Tr : Spontaneous polarization with Berry phase method   mostefa djermouni
  • [Wien] Tr : Spontaneous polarization with Berry phase method   Oleg Rubel
• [Wien] (no subject)   Karima Karim
• [Wien] Thanks to Oleg and Michael   马亚坤
• [Wien] Need help please   kalsoom Khan
  • [Wien] Need help please   Luis Ogando
• [Wien] ‘lapw2 -so’ hangs   Elias Assmann
  • [Wien] ‘lapw2 -so’ hangs   Peter Blaha
    • [Wien] ‘lapw2 -so’ hangs   Elias Assmann
      • [Wien] ‘lapw2 -so’ hangs   Peter Blaha
      • [Wien] ‘lapw2 -so’ hangs   Elias Assmann
  • [Wien] ‘lapw2 -so’ hangs   Elias Assmann
• [Wien] Regarding moniclinic structure   kalsoom Khan
  • [Wien] Regarding moniclinic structure   Gavin Abo
• [Wien] case.almblm   Yundi Quan
• [Wien] problem with xcrysden   Saleem Ayaz
• [Wien] (no subject)   Karima Karim
• [Wien] Question   Oleg Rubel
• [Wien] (no subject)   Karima Karim
  • [Wien] (no subject)   Peter Blaha
• [Wien] Fwd: Regarding Magnetocrystalline Anisotropy Energy   vishal jain
• [Wien] space group help   Mamta Chauhan
  • [Wien] space group help   Ghosh SUDDHASATTWA
    • [Wien] space group help   Mamta Chauhan
      • [Wien] space group help   Ghosh SUDDHASATTWA
      • [Wien] space group help   Mamta Chauhan
• [Wien] Electron distribution   Jifeng Sun
• [Wien] (no subject)   kalsoom Khan
  • [Wien] (no subject)   Lyudmila Dobysheva
• [Wien] Reg: Supercell calculation   Shwetha Gummula
  • [Wien] Reg: Supercell calculation   Uday
  • [Wien] Reg: Supercell calculation   pieper
    • [Wien] Reg: Supercell calculation   Shwetha Gummula
• [Wien] band in Hybrid functunal sumhfpara'   ali ghafari
  • [Wien] band in Hybrid functunal sumhfpara'   tran at theochem.tuwien.ac.at
    • [Wien] band in Hybrid functunal sumhfpara'   ali ghafari
      • [Wien] band in Hybrid functunal sumhfpara'   tran at theochem.tuwien.ac.at
      • [Wien] band in Hybrid functunal sumhfpara'   ali ghafari
      • [Wien] band in Hybrid functunal sumhfpara'   tran at theochem.tuwien.ac.at
• [Wien] ZnIn2Te4 structure confusion   Masood Yousaf
  • [Wien] ZnIn2Te4 structure confusion   Stefaan Cottenier
    • [Wien] ZnIn2Te4 structure confusion   Masood Yousaf
      • [Wien] ZnIn2Te4 structure confusion   Stefaan Cottenier
      • [Wien] ZnIn2Te4 structure confusion   Masood Yousaf
• [Wien] NMR calculation in Spin-polarized cases   Nakamoto, Mitsunori
  • [Wien] NMR calculation in Spin-polarized cases   Carlier Dany
    • [Wien] NMR calculation in Spin-polarized cases   Nakamoto, Mitsunori
      • [Wien] NMR calculation in Spin-polarized cases   Robert Laskowski
• [Wien] Large magnetic moment in LaCoO3 compound in Low Spin state   saurabh singh
  • [Wien] Large magnetic moment in LaCoO3 compound in Low Spin state   Elias Assmann
• [Wien] Coefficients in SOC calculations   Kyohn Ahn
  • [Wien] Coefficients in SOC calculations   Peter Blaha
• [Wien] GaN film with monolayer   mourad boujnah
  • [Wien] GaN film with monolayer   Gavin Abo
• [Wien] virtual crystal approximation   kangbugy at lycos.co.kr
  • [Wien] virtual crystal approximation   Uday
• [Wien] EFERMI OUT OF ENERGY RANGE   Vivek Jain
  • [Wien] EFERMI OUT OF ENERGY RANGE   Gavin Abo
• [Wien] Mpi &ssh ssue (not a bug)   Laurence Marks
• [Wien] spinel structure   ben amara imen
  • [Wien] spinel structure   Lyudmila Dobysheva
• [Wien] Bug in hybrid functionals with -redklist for metals   tran at theochem.tuwien.ac.at
• [Wien] Please help me   kalsoom Khan
  • [Wien] Please help me   Gavin Abo
• [Wien] Problem in initilization   Saleem Ayaz
  • [Wien] Problem in initilization   Gavin Abo
• [Wien] problem with testpara   berber mo
  • [Wien] problem with testpara   Gavin Abo
    • [Wien] problem with testpara   berber mo
      • [Wien] problem with testpara   berber mo
      • [Wien] problem with testpara   berber mo
      • [Wien] problem with testpara   Gavin Abo
• [Wien] Mixed spin dosplot   saurabh samant
  • [Wien] Mixed spin dosplot   Fecher, Gerhard
• [Wien] A problem with case.spaghetii_ene   膏药
  • [Wien] A problem with case.spaghetii_ene   Gavin Abo
• [Wien] problem with compilation of parallel lapw0+fftw3, Wien2k 13.1   Natalia Pavlenko
  • [Wien] problem with compilation of parallel lapw0+fftw3, Wien2k 13.1   Gavin Abo
    • [Wien] problem with compilation of parallel lapw0+fftw3, Wien2k 13.1   Natalia Pavlenko
• [Wien] How to show Charge density in contour plots interms of Numerical values on each isoline ?   Masood Yousaf
  • [Wien] How to show Charge density in contour plots interms of Numerical values on each isoline ?   Saeid Jalali
    • [Wien] How to show Charge density in contour plots interms of Numerical values on each isoline ?   Masood Yousaf
• [Wien] lapw0 cpu time   abdel Mar..
  • [Wien] lapw0 cpu time   abdel Mar..
• [Wien] lapw0 cpu time   Laurence Marks
• [Wien] DOS projected onto Jeff=1/2 and 3/2   acta3273 at chiba-u.jp
  • [Wien] DOS projected onto Jeff=1/2 and 3/2   Peter Blaha
    • [Wien] DOS projected onto Jeff=1/2 and 3/2   acta3273 at chiba-u.jp
      • [Wien] DOS projected onto Jeff=1/2 and 3/2   Peter Blaha
      • [Wien] lapw1 error energy limits   jhirsch at ucsd.edu
      • [Wien] lapw1 error energy limits   Peter Blaha
      • [Wien] lapw1 error energy limits   jhirsch at ucsd.edu
      • [Wien] lapw1 error energy limits   Peter Blaha
• [Wien] AFM NiO wrong magnetic moment   Marcus Ekholm
  • [Wien] AFM NiO wrong magnetic moment   Peter Blaha
  • [Wien] AFM NiO wrong magnetic moment   tran at theochem.tuwien.ac.at
• [Wien] DOS projected onto Jeff=1/2 and 3/2   Kim Kyoo
• [Wien] the error of "nmr_q0.weigh" for NMR calculations   Bing Zhou
  • [Wien] the error of "nmr_q0.weigh" for NMR calculations   Peter Blaha
• [Wien] two questions about NMR calculations   Bing Zhou
  • [Wien] two questions about NMR calculations   Robert Laskowski
• [Wien] Error in LAPW1   Farshad Nejadsattari
  • [Wien] Error in LAPW1   Peter Blaha
• [Wien] error in lapw2   berber mo
  • [Wien] error in lapw2   Lyudmila Dobysheva
    • [Wien] error in lapw2   berber mo
• [Wien] run SCF command to include SO in mBJ   saurabh samant
  • [Wien] run SCF command to include SO in mBJ   tran at theochem.tuwien.ac.at
    • [Wien] run SCF command to include SO in mBJ   saurabh samant
      • [Wien] run SCF command to include SO in mBJ   tran at theochem.tuwien.ac.at
• [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi   Natalia Pavlenko
  • [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi   Peter Blaha
    • [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi   Natalia Pavlenko
      • [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi   Peter Blaha
      • [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi   Natalia Pavlenko
• [Wien] Slab dielectric function vs. bulk dielectric function   phlhj phlhj
  • [Wien] Slab dielectric function vs. bulk dielectric function   Peter Blaha
    • [Wien] Slab dielectric function vs. bulk dielectric function   phlhj phlhj
      • [Wien] Slab dielectric function vs. bulk dielectric function   Peter Blaha
      • [Wien] Slab dielectric function vs. bulk dielectric function   phlhj phlhj
• [Wien] Problem with wien2k 13.1 parallel for Slurm+intel mpi   Laurence Marks
• [Wien] Exchange-correlation energy   Martin Gmitra
  • [Wien] Exchange-correlation energy   tran at theochem.tuwien.ac.at
• [Wien] NMR CSA calculations using WIEN2k/13   Bing Zhou
• [Wien] LSDA+U+SO orbital moment and spin moment   njudyp at sina.com
  • [Wien] LSDA+U+SO orbital moment and spin moment   pieper
  • [Wien] Problem with NMR chemical shift calculation   Tambornino Frank
    • [Wien] Problem with NMR chemical shift calculation   Peter Blaha
      • [Wien] [SPAM?] Re: Problem with NMR chemical shift calculation   Bing Zhou
• [Wien] berryphase   Shahrbano Raheme
  • [Wien] berryphase   Sheikh Jamil Ahmed
  • [Wien] berryphase   Oleg Rubel
• [Wien] (no subject)   ali betaouaf
  • [Wien] (no subject)   Peter Blaha
• [Wien] EXAFS   prasenjit roy
  • [Wien] EXAFS   Peter Blaha
• [Wien] I donot init this structure, how I do it?   Tuo Cai
• [Wien] poisson equation   John Rundgren
  • [Wien] poisson equation   Gavin Abo
• [Wien] Formula to calculate lattice constant from cubic volume   Naseem Hassan
  • [Wien] Formula to calculate lattice constant from cubic volume   Kurt Lejaeghere
    • [Wien] Formula to calculate lattice constant from cubic volume   Naseem Hassan
• [Wien] enery of px, py, .. orbitals   ali ghafari
• [Wien] Fixed spin calculations with antiferromagnetic order   Alaska Subedi
  • [Wien] Fixed spin calculations with antiferromagnetic order   tran at theochem.tuwien.ac.at

Last message date: Sat Nov 30 21:06:48 CET 2013
Archived on: Sat Nov 30 21:06:50 CET 2013

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