March 2012 Archives by subject
      
      Starting: Thu Mar  1 08:19:04 CET 2012
         Ending: Fri Mar 30 17:27:02 CEST 2012
         Messages: 208
     
- [Wien] "stop core end" Kindly help .Not able to find optical	property
 
Masood Yousaf
- [Wien] 'Plane waves exhasted' error
 
Hiroshi Nakano
- [Wien] 'Plane waves exhasted' error
 
M. Koshino
- [Wien] 'Plane waves exhasted' error
 
Fecher, Gerhard
- [Wien] 'Plane waves exhasted' error
 
Laurence Marks
- [Wien] (no subject)
 
Zahia Aboub
- [Wien] (no subject)
 
Zahia Aboub
- [Wien] (no subject)
 
Saba Sabeti
- [Wien] (no subject)
 
Zahia Aboub
- [Wien] 3D spin density
 
kangbugy at lycos.co.kr
- [Wien] 3D spin density
 
Peter Blaha
- [Wien] [SPAM?] problem to compile
 
luca sementa
- [Wien] [SPAM?] unit in output spectra of TELNES3
 
ZhenChen
- [Wien] A question regarding magnetic/spin calculation in	Wien2k	please
 
Fecher, Gerhard
- [Wien] A question regarding magnetic/spin calculation in Wien2k	please
 
Qiwen  YAO
- [Wien] A question regarding magnetic/spin calculation in Wien2k	please
 
Laurence Marks
- [Wien] A question regarding magnetic/spin calculation in Wien2k	please
 
Qiwen  YAO
- [Wien] A question regarding magnetic/spin calculation in Wien2k please
 
Rocquefelte
- [Wien] another criteria for the option 6 of the optimization
 
sufyan
- [Wien] B_lat hyperfine field NMR
 
David Tompsett
- [Wien] B_lat hyperfine field NMR
 
Stefaan Cottenier
- [Wien] bandstructure error( with spin-orbit interaction )
 
L
- [Wien] bandstructure error( with spin-orbit interaction )
 
Peter Blaha
- [Wien] Boltztrap
 
ali ghafari
- [Wien] Charge analysis
 
bruce.tian
- [Wien] Charge analysis
 
Laurence Marks
- [Wien] chemical bonding
 
Yundi Quan
- [Wien] chemical bonding
 
Laurence Marks
- [Wien] chemical bonding
 
Yundi Quan
- [Wien] chemical bonding
 
Laurence Marks
- [Wien] chemical bonding
 
Rocquefelte
- [Wien] chemical bonding
 
Yundi Quan
- [Wien] chemical bonding
 
Rocquefelte
- [Wien] compilation problem for the installation of wien2k
 
Laurence Marks
- [Wien] converting *.struct format to another format
 
mohaddeseh abbasnejad
- [Wien] converting *.struct format to another format
 
Parker, David S.
- [Wien] converting *.struct format to another format
 
mohaddeseh abbasnejad
- [Wien] Core separation energy & RMT,	please let	 us know the	 values
 
泉 康雄
- [Wien] Core separation energy & RMT, please let	 us know the  values
 
Rocquefelte
- [Wien] Core separation energy & RMT, please let us know the	 values
 
泉 康雄
- [Wien] Core separation energy & RMT, please let us know the	 values
 
Rocquefelte
- [Wien] Core separation energy & RMT, please let us know the	 values
 
Stefaan Cottenier
- [Wien] dstart
 
ben amara imen
- [Wien] dstart
 
Laurence Marks
- [Wien] DSTART
 
Antônio Vanbderlei dos Santos
- [Wien] EF not accurate
 
Zahia Aboub
- [Wien] EF not accurate
 
Lyudmila Dobysheva
- [Wien] Emax in "case.in1" within spin-orbit coupling calculations
 
hyunjung kim
- [Wien]  Emax in case.in1 within spin-orbit coupling calculations
 
hyunjung kim
- [Wien] Emax in case.in1 within spin-orbit coupling calculations
 
Stefaan Cottenier
- [Wien] error in lapw1
 
Swetarekha Ram
- [Wien] Error in LAPW1
 
Antônio Vanbderlei dos Santos
- [Wien] Error in LAPW1
 
Laurence Marks
- [Wien] Error in LAPW1
 
Stefaan Cottenier
- [Wien] Error in LAPW1
 
Antônio Vanbderlei dos Santos
- [Wien] error in spin-orbit coupling
 
Madhav Ghimire
- [Wien] error in spin-orbit coupling
 
Peter Blaha
- [Wien] error in spin-orbit coupling
 
Peter Blaha
- [Wien] error in spin-orbit coupling
 
Madhav Ghimire
- [Wien] exciton trapping
 
Fabiana Da Pieve
- [Wien] exciton trapping
 
Laurence Marks
- [Wien] exciton trapping
 
Fabiana Da Pieve
- [Wien] external potential inside the muffin-tin sphere
 
Yundi Quan
- [Wien] external potential inside the muffin-tin sphere
 
Nazma Ikram
- [Wien] external potential inside the muffin-tin sphere
 
Laurence Marks
- [Wien] external potential inside the muffin-tin sphere
 
Yundi Quan
- [Wien] external potential inside the muffin-tin sphere
 
Rocquefelte
- [Wien] external potential inside the muffin-tin sphere
 
Yundi Quan
- [Wien] external potential inside the muffin-tin sphere
 
Rocquefelte
- [Wien] Fermi surface by using, XCrySDen
 
علاء عبد الحميد
- [Wien] Fermi surface by using, XCrySDen
 
Gavin Abo
- [Wien] Fermi surface by XCrySDen
 
علاء عبد الحميد
- [Wien] gmin
 
Yundi Quan
- [Wien] Help of Fermi Surface
 
Alex Animalu
- [Wien] Help of Fermi Surface
 
Gregory Pomrehn
- [Wien] Help of Fermi Surface
 
Peter Blaha
- [Wien] Help on Fermi Surface Plotting
 
Alex Animalu
- [Wien] help required
 
arqum hashmi
- [Wien] help required
 
Laurence Marks
- [Wien] help required
 
arqum hashmi
- [Wien] help required
 
arqum hashmi
- [Wien] help required
 
Peter Blaha
- [Wien] help required
 
arqum hashmi
- [Wien] help required
 
Stefaan Cottenier
- [Wien] help required
 
arqum hashmi
- [Wien] help required
 
Stefaan Cottenier
- [Wien] help required
 
arqum hashmi
- [Wien] help required
 
arqum hashmi
- [Wien] help required
 
Stefaan Cottenier
- [Wien]  help required
 
MOWAFAQ MOHAMMAD KETHYAN AL-SARDIA
- [Wien] help required
 
Laurence Marks
- [Wien] help required
 
Stefaan Cottenier
- [Wien] how to choose the plane for plotting Electron Density without XCRYSDEN
 
Zhou Bing
- [Wien] how to choose the plane for plotting Electron Density without XCRYSDEN
 
Rocquefelte
- [Wien] how to choose the plane for plotting Electron Density without XCRYSDEN
 
Zhou Bing
- [Wien] how to obtain the result of (px+py)/2-pz
 
Zhou Bing
- [Wien] Invitation to connect on LinkedIn
 
Kiseok Chang via LinkedIn
- [Wien] Invitation to connect on LinkedIn
 
jaafar jalilian via LinkedIn
- [Wien] Lapw1
 
Laurence Marks
- [Wien] LAPW2
 
علاء عبد الحميد
- [Wien] LAPW2C stop
 
Zahia Aboub
- [Wien] LAPW2C stop
 
Antônio Vanbderlei dos Santos
- [Wien] LAPW2C stop
 
Laurence Marks
- [Wien] LAPW2C stop
 
Laurence Marks
- [Wien] LAPW2C stop
 
Lyudmila Dobysheva
- [Wien] LAPW2C stop
 
Lyudmila Dobysheva
- [Wien] LAPW2C stop
 
Zahia Aboub
- [Wien] LAPW2C stop
 
Zahia Aboub
- [Wien] LAPW2C stop
 
Laurence Marks
- [Wien] LAPW2C stop
 
Zahia Aboub
- [Wien] LAPW2C stop
 
Laurence Marks
- [Wien] LAPW2C stop
 
Zahia Aboub
- [Wien] LAPW2C stop
 
Laurence Marks
- [Wien] Lapwso crashed when running the program in parallel mode
 
Madhav Ghimire
- [Wien] Lapwso crashed when running the program in parallel mode
 
Peter Blaha
- [Wien] LDA+U
 
علاء عبد الحميد
- [Wien] LDA+U
 
Rocquefelte
- [Wien] LDA+U error
 
Nishaina Sahadev
- [Wien] lsart
 
ben amara imen
- [Wien] lsart
 
Stefaan Cottenier
- [Wien] lstart
 
ben amara imen
- [Wien] lstart
 
Rocquefelte
- [Wien] minor error in lapwso Wien2k_11.1
 
김 규
- [Wien] minor error in lapwso Wien2k_11.1
 
Peter Blaha
- [Wien] plz help required
 
arqum hashmi
- [Wien] plz help required
 
Laurence Marks
- [Wien] plz help required
 
arqum hashmi
- [Wien] plz help required
 
arqum hashmi
- [Wien] plz help required
 
arqum hashmi
- [Wien] plz help required
 
Laurence Marks
- [Wien] plz help required
 
arqum hashmi
- [Wien] plz help required
 
arqum hashmi
- [Wien]  plz help required
 
MOWAFAQ MOHAMMAD KETHYAN AL-SARDIA
- [Wien] plz help required
 
Laurence Marks
- [Wien] plz help required
 
arqum hashmi
- [Wien] plz help required
 
Laurence Marks
- [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)
 
shamik chakrabarti
- [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)
 
Laurence Marks
- [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)
 
shamik chakrabarti
- [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)
 
Peter Blaha
- [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)
 
shamik chakrabarti
- [Wien] question about the option 6 of the optimization
 
sufyan
- [Wien] question on how to rotate the axis in qtl propram
 
王静
- [Wien] question on how to rotate the axis in qtl propram
 
Peter Blaha
- [Wien]   Question on spin-orbit coupling calculation
 
hyunjung kim
- [Wien] Questions on the quantitative understanding of DOS	and	partial DOS
 
Lee, Yongbin [A LAB]
- [Wien] Questions on the quantitative understanding of DOS and	partial DOS
 
J. K. Balamurugan
- [Wien] Questions on the quantitative understanding of DOS and partial DOS
 
David Tompsett
- [Wien] Questions on the quantitative understanding of DOS and partial DOS
 
J. K. Balamurugan
- [Wien] Reg: k-point parallel submission of script to the HPC
 
shwetha gummula
- [Wien] Reg: k-point parallel submission of script to the HPC
 
pascal boulet
- [Wien] Reg: k-point parallel submission of script to the HPC
 
shwetha gummula
- [Wien] Reg: k-point parallel submission of script to the HPC
 
shwetha gummula
- [Wien] Reg: k-point parallel submission of script to the HPC
 
Peter Blaha
- [Wien] Reg: k-point parallel submission of script to the HPC
 
shwetha gummula
- [Wien] Reg: k-point parallel submission of script to the HPC
 
Gavin Abo
- [Wien] Reg: k-point parallel submission of script to the HPC
 
Eamon McDermott
- [Wien] Reg: k-point parallel submission of script to the HPC
 
shwetha gummula
- [Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go	further
 
Masood Yousaf
- [Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go	further
 
Laurence Marks
- [Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go	further
 
Laurence Marks
- [Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go	further
 
Laurence Marks
- [Wien] SCF Run problem
 
Jagdish Nehra
- [Wien] SCF Run problem
 
Gavin Abo
- [Wien] SCF run problem
 
Jagdish Nehra
- [Wien] SCF run problem
 
Laurence Marks
- [Wien] SCF run problem
 
Laurence Marks
- [Wien] Some confirmation regarding SO calculation
 
Vinayak Mishra
- [Wien] sp2, sp3 hybridization and Pz, Px, Py
 
Zhou Bing
- [Wien] spin density
 
kangbugy at lycos.co.kr
- [Wien] spin density
 
Rocquefelte
- [Wien] SPIN ORBIT COUPLING and Band structure picture
 
Madhav Ghimire
- [Wien] SPIN ORBIT COUPLING and Band structure picture
 
Peter Blaha
- [Wien] STOP CORE END
 
Masood Yousaf
- [Wien] STOP CORE END
 
Stefaan Cottenier
- [Wien] Telnes3 compilation
 
aeljarrat at el.ub.edu
- [Wien] Telnes3 compilation
 
Peter Blaha
- [Wien] Telnes3 compilation
 
aeljarrat at el.ub.edu
- [Wien] TELNES3 with spin
 
Che Seabourne
- [Wien] TELNES3 with spin
 
Peter Blaha
- [Wien] The band structure of CuAlO2- SG 166
 
Osama Yassin
- [Wien] The band structure of CuAlO2- SG 166
 
Peter Blaha
- [Wien] The band structure of CuAlO2- SG 166
 
Osama Yassin
- [Wien] the effec of the volume optimization on the	magnetic	configuration
 
Fecher, Gerhard
- [Wien] the effec of the volume optimization on the magnetic	configuration
 
sufyan
- [Wien] the orientation between EFG tensor and crystal frame	directions
 
Zhou Bing
- [Wien] the orientation between EFG tensor and crystal frame	directions
 
Peter Blaha
- [Wien] the orientation between EFG tensor and crystal frame directions
 
Zhou Bing
- [Wien] the parameter of denominator in the file of case.in5
 
Zhou Bing
- [Wien] the parameter of denominator in the file of case.in5
 
Rocquefelte
- [Wien] the parameter of denominator in the file of case.in5
 
Zhou Bing
- [Wien] the parameter of denominator in the file of case.in5
 
Rocquefelte
- [Wien] the parameter of denominator in the file of case.in5
 
Zhou Bing
- [Wien] Unable to run spin-orbit calculation for non-spin cases
 
Madhav Ghimire
- [Wien]  Vec2old_LAPW
 
ahmad gharleghi
- [Wien] Vec2old_LAPW
 
Laurence Marks
- [Wien] Vec2old_LAPW
 
ahmad gharleghi
- [Wien] Vec2old_LAPW
 
Laurence Marks
- [Wien] w2web
 
Sohail Ahmad
- [Wien] w2web
 
Gavin Abo
- [Wien] WIENNCM + spin-orbit
 
Lyudmila Dobysheva
- [Wien] WIENNCM + spin-orbit
 
Robert Laskowski
- [Wien] WIENNCM + spin-orbit
 
Peter Blaha
- [Wien] WIENNCM + spin-orbit
 
Lyudmila Dobysheva
- [Wien] XCRYSDEN
 
Zhou Bing
- [Wien] إعادة توجيه: EF not accurate
 
Zahia Aboub
- [Wien] إعادة توجيه: EF not accurate
 
Zahia Aboub
- [Wien] إعادة توجيه: EF not accurate
 
Laurence Marks
    
      Last message date: 
       Fri Mar 30 17:27:02 CEST 2012
    Archived on: Fri Mar 30 17:27:30 CEST 2012
    
   
     
     
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