August 2008 Archives by subject

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Starting: Fri Aug 1 20:41:26 CEST 2008
Ending: Sun Aug 31 12:48:35 CEST 2008
Messages: 97

• [Wien] "could not determine loc rot matrix"   Stefaan Cottenier
• [Wien] "could not determine loc rot matrix"   Peter Blaha
• [Wien] "could not determine loc rot matrix"   Stefaan Cottenier
• [Wien] 2- overlap matrix at the interstitial region and using FFT   fatemeh.mirjani
• [Wien] <u_n,k1|u_m,k2> at the interstitial region   fatemeh.mirjani
• [Wien] About EELS calculate   pf.guan at imr.tohoku.ac.jp
• [Wien] bandstructure calculation   Masao ARAI
• [Wien] bandstructure calculation   Peter Blaha
• [Wien] bandstructure calculation   Masao ARAI
• [Wien] bandstructure calculation   Peter Blaha
• [Wien] bandstructure calculation   arai
• [Wien] c(G)_k,m in FFT-mesh   fatemeh.mirjani
• [Wien] c(G)_k,m in FFT-mesh   Peter Blaha
• [Wien] case.inst   Oleg Artamonov
• [Wien] case.inst   Stefaan Cottenier
• [Wien] case.inst   Oleg Artamonov
• [Wien] case.inst   Stefaan Cottenier
• [Wien] case.inst   Oleg Artamonov
• [Wien] charge density   Tulika Maitra
• [Wien] charge density   Peter Blaha
• [Wien] different eigenvalues at the same k point   yxl at email.jlu.edu.cn
• [Wien] different eigenvalues at the same k point   Peter Blaha
• [Wien] different eigenvalues at the same k point   Yongbin Lee
• [Wien] different eigenvalues at the same k point   yxl at email.jlu.edu.cn
• [Wien] extracting all of the c(G)_n,k coefficients   fatemeh.mirjani
• [Wien] extracting all of the c(G)_n,k coefficients   Peter Blaha
• [Wien] finding theta(G) in the source of code   fatemeh.mirjani
• [Wien] GMAX, FFT-dimension, c-star, c(G) coefficients   fatemeh.mirjani
• [Wien] GMAX, FFT-dimension, c-star, c(G) coefficients   Peter Blaha
• [Wien] I need theta(Gi-Gj) [the FFT of the step-function at the interstitial region] to calculate the overlap matrix which I mentioned in my previous email. M_mn interstitial(k1, k2)=<u_m, k1|u_n, k2>= sigma_ij{c*_m, k1(Gi) * theta(Gi-Gj) * c_n, k2(Gj)}   fatemeh.mirjani
• [Wien] I need theta(Gi-Gj) [the FFT of the step-function at the interstitial region] to calculate the overlap matrix which I mentioned in my previous email. M_mn interstitial(k1, k2)=<u_m, k1|u_n, k2>= sigma_ij{c*_m, k1(Gi) * theta(Gi-Gj) * c_n, k2(Gj)}   Peter Blaha
• [Wien] ionic adsorption   Igor Nechaev
• [Wien] LDA+U for s and p orbitals?   Yurko Natanzon
• [Wien] LDA+U for s and p orbitals?   Rossitza.Pentcheva at lrz.uni-muenchen.de
• [Wien] Move origin of supercell   Peter Blaha
• [Wien] New qtl testing   Oleg Artamonov
• [Wien] New qtl testing   Pavel Novak
• [Wien] New qtl testing   Pavel Novak
• [Wien] New qtl testing   Oleg Artamonov
• [Wien] odd error in lapw1 -band   Marzieh Haghighat
• [Wien] odd error in lapw1 -band   Gerhard Fecher
• [Wien] odd failure in 'qtl' - triclinic   Cormac McGuinness
• [Wien] Optical calculation on the case without spin-orbit -2   Dong Su
• [Wien] Optical calculation on the case without spin-orbit -2   Dong Su
• [Wien] Optical calculation on the case without spin-orbit -2   Peter Blaha
• [Wien] overlap matrix at the interstitial region and using FFT   fatemeh.mirjani
• [Wien] Problem in the no. of U(Gx,Gy,Gz) & G-vectors   fatemeh.mirjani
• [Wien] Problem in the no. of U(Gx,Gy,Gz) & G-vectors   Peter Blaha
• [Wien] Problems in Mixer   rup_swarup at yahoo.com
• [Wien] Problems in Mixer   Peter Blaha
• [Wien] QTL Projection f-7/2   D.A. Tompsett
• [Wien] QTL Projection f-7/2   Peter Blaha
• [Wien] QTL Projection f-7/2   D.A. Tompsett
• [Wien] QTL Projection f-7/2   Pavel Novak
• [Wien] QTL-B and "Eigenvalues Below..."   Stefaan Cottenier
• [Wien] QTL-B and "Eigenvalues Below..."   Peter Blaha
• [Wien] QTL-B and "Eigenvalues Below..."   Peter Blaha
• [Wien] Question about input file case.inorb for LDA+U   pf.guan at imr.tohoku.ac.jp
• [Wien] Question about input file case.inorb for LDA+U   Stefaan Cottenier
• [Wien] question about dielectric tensor   Peter Blaha
• [Wien] Subscript out of range warning   Yurko Natanzon
• [Wien] Subscript out of range warning   Peter Blaha
• [Wien] Supercell Coulomb potential using single unitcell results   zcl at physik.hu-berlin.de
• [Wien] Supercell Coulomb potential using single unitcell results   Marco Schowalter
• [Wien] Symmetry for lapw1c in LDA+U   D.A. Tompsett
• [Wien] Symmetry for lapw1c in LDA+U   Peter Blaha
• [Wien] Symmetry for lapw1c in LDA+U   D.A. Tompsett
• [Wien] Symmetry for lapw1c in LDA+U   Peter Blaha
• [Wien] taking confint program for making case.int   morteza jamal
• [Wien] TELNES.2   persson at physics.usyd.edu.au
• [Wien] The Rashba-effect calculations   Oleg Artamonov
• [Wien] The Rashba-effect calculations   Peter Blaha
• [Wien] the results about electron density difference   yxl at email.jlu.edu.cn
• [Wien] the results about electron density difference   Peter Blaha
• [Wien] Wien Digest, Vol 39, Issue 3   azar hadidi
• [Wien] Wien Digest, Vol 39, Issue 3   Gerhard Fecher
• [Wien] Wien2k parallel compilation   Sergio Yanuen Rodriguez
• [Wien] Wien2k parallel compilation   Laurence Marks
• [Wien] Wien2k parallel compilation   Sergio Yanuen Rodriguez
• [Wien] Wien2k parallel compilation   Laurence Marks
• [Wien] Wien2k parallel compilation   Sergio Yanuen Rodriguez
• [Wien] Wien2k parallel compilation   Laurence Marks
• [Wien] Wien2k parallel compilation   Sergio Yanuen Rodriguez
• [Wien] Wien2k user and a subsciber, finding error while posting mail to this.   shameem banu
• [Wien] wien2k, gotoblas and multi threads   Todd Pfaff
• [Wien] wien2k, gotoblas and multi threads   Todd Pfaff
• [Wien] wien2k, gotoblas and multi threads   Peter Blaha
• [Wien] wien2k, gotoblas and multi threads   Todd Pfaff
• [Wien] wien2k, gotoblas and multi threads   Peter Blaha
• [Wien] wien2k, gotoblas and multi threads   Todd Pfaff
• [Wien] wien2k, gotoblas and multi threads   Todd Pfaff
• [Wien] wien2k, gotoblas and multi threads   Peter Blaha
• [Wien] wien2k, gotoblas and multi threads   Todd Pfaff
• [Wien] wien2k, gotoblas and multi threads   Todd Pfaff
• [Wien] wien2k, gotoblas and multi threads   Peter Blaha
• [Wien] x-ray absoprtion calculation on ice   Lily Anh
• [Wien] x-ray absoprtion calculation on ice   Peter Blaha

Last message date: Sun Aug 31 12:48:35 CEST 2008
Archived on: Sun Aug 31 12:48:49 CEST 2008

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