November 2013 Archives by author

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

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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