May 2004 Archives by subject

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Starting: Sat May 1 21:41:17 CEST 2004
Ending: Mon May 31 22:51:30 CEST 2004
Messages: 182

• [Wien] "overmagnetisation" of GGA   thomas.mazet
• [Wien] "overmagnetisation" of GGA   Peter Blaha
• [Wien] "overmagnetisation" of GGA   Kulkova S.E.
• [Wien] :WARN : WARNING: RKmax (ignore)   L. D. Marks
• [Wien] :WARN : WARNING: RKmax (ignore)   Stefaan Cottenier
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   L. D. Marks
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   Stefaan Cottenier
• [Wien] about SRA   j cai
• [Wien] about SRA   Peter Blaha
• [Wien] about the so and orb for magnetic case   M.Y.Wu
• [Wien] Band Labeling   Dr. Sharat Chandra
• [Wien] Band Labeling   Peter Blaha
• [Wien] Band Labeling   Dr. Sharat Chandra
• [Wien] Bug with ../SRC_lapw0/lapw0.F SRC_mixer/scfana.f after Iterations 100 ?   Peter Blaha
• [Wien] Bug with ../SRC_lapw0/lapw0.F SRC_mixer/scfana.f after Iterations 100 ?   Tianjiao Zhang
• [Wien] Can I perform the calculation of surface cohesion for Cu (111) with wien2k?   panzhijun2002
• [Wien] Charged supercells   Daniel Fernández Hevia
• [Wien] Charged supercells   Peter Blaha
• [Wien] Charged supercells   Stefaan Cottenier
• [Wien] Charged supercells   Peter Blaha
• [Wien] Charged supercells   Daniel Fernández Hevia
• [Wien] Charged supercells   Peter Blaha
• [Wien] chemical potential!   my_peak at ywzc.net
• [Wien] chemical potential!   Torsten Andersen
• [Wien] CXZ and P   Jack London
• [Wien] CXZ and P   Jack London
• [Wien] density matrix   stargmoon
• [Wien] density matrix   Stefaan Cottenier
• [Wien] DOS and Band- calcualtions with s-o involved   Claudio Lee
• [Wien] k-point sampling   Jorissen Kevin
• [Wien] DOS plot   sdanpol at t2.technion.ac.il
• [Wien] DOS plot   georg at chem.au.dk
• [Wien] Effect of spin-orbit on equilibrium lattice constant   Fred Nastos
• [Wien] Elastic constants for hexagonal / orthorhombic systems   Ravindran Ponniah
• [Wien] Electron Density Plots   krutibas panda
• [Wien] ELNES (tetra error)   Jorissen Kevin
• [Wien] ELNES (tetra error)   Philippe Moreau
• [Wien] ELNES (tetra error)   Peter Blaha
• [Wien] ELNES (tetra error)   Bertoni Giovanni
• [Wien] Error in fine grained run_lapw   Nandan Tandon
• [Wien] Error in Parallel LAPW1   L. D. Marks
• [Wien] Error in Parallel LAPW1   Peter Blaha
• [Wien] Error in Rotdef again....   Georg Eickerling
• [Wien] Error in Rotdef again....   Stefaan Cottenier
• [Wien] Error in Rotdef again....   Georg Eickerling
• [Wien] Ferromagnetic semiconductors   Lukasz Plucinski
• [Wien] Fixed-spin-moment Calculation   wangguo
• [Wien] Fixed-spin-moment Calculation   Peter Blaha
• [Wien] ghostbands for fcc Ni   Sergio L. Palacios
• [Wien] ghostbands for fcc Ni   Javad Hashemifar
• [Wien] GridCtrl   Michael Gurnett
• [Wien] GridCtrl   Michael Gurnett
• [WIEN] Heat capacity constant Gamma in tetra.f?   Jozef Deniszczyk
• [Wien] Hello All   Rashid ahmed
• [Wien] help: problem case.output1 SOLVED   Bertoni Giovanni
• [Wien] help: problem with case.output1   Bertoni Giovanni
• [Wien] ifc compatability with red-hat 9   Sherif Yehia
• [Wien] ifc compatability with red-hat 9   L. D. Marks
• [Wien] ifc compatability with red-hat 9   Sherif Yehia
• [Wien] ifc compatability with red-hat 9   L. D. Marks
• [Wien] Lapw2 + qtl   Krzysztof Osuch
• [Wien] LDA+U method   Yang, Jinbo
• [Wien] LDA+U method   Peter Blaha
• [Wien] LDA+U method   Yang, Jinbo
• [Wien] Local rotation matrix   Stefano Rubino
• [Wien] Local rotation matrix   Peter Blaha
• [Wien] memory requirements   Harry John Gotsis
• [Wien] memory requirements   Torsten Andersen
• [Wien] memory requirements (fwd)   Vicky Tanya Seno
• [Wien] memory requirements (fwd)   Peter Blaha
• [Wien] Minor bug in cif2struct   L. D. Marks
• [Wien] Minor bug in cif2struct   Peter Blaha
• [Wien] Minor bug in cif2struct   L. D. Marks
• [Wien] Minor bug in cif2struct   Peter Blaha
• [Wien] Minor bug in cif2struct (American Mineralogist Database)   L. D. Marks
• [Wien] mistake in ISPLIT=8 !!!   Javad Hashemifar
• [Wien] mistake in ISPLIT=8 !!!   Peter Blaha
• [Wien] mistake in ISPLIT=8 !!!   Javad Hashemifar
• [Wien] MPI parallelization   Griselda Garcia
• [Wien] MPI parallelization   Griselda Garcia
• [Wien] MPI with myrinet   M. Todorova
• [Wien] muffin tin approximation   林 Lin
• [Wien] muffin tin approximation   Jorissen Kevin
• [Wien] muffin tin approximation   Hsin
• [Wien] muffin tin approximation   Jorissen Kevin
• [Wien] muffin tin approximation   Peter Blaha
• [Wien] New mini PORT option   Michael Gurnett
• [Wien] New mini PORT option   L. D. Marks
• [Wien] New mini PORT option   Krzysztof Osuch
• [Wien] New mini PORT option   L. D. Marks
• [Wien] New mini PORT option   Peter Blaha
• [Wien] New mini PORT option   Michael Gurnett
• [Wien] New mini PORT option   L. D. Marks
• [Wien] New mini PORT option   Michael Gurnett
• [Wien] New Port option in Mini   L. D. Marks
• [Wien] NiO structure factors -- LDA+U   L. D. Marks
• [Wien] Novak lectures on ldau   Pablo de la Mora
• [Wien] Novak lectures on ldau   Peter Blaha
• [Wien] Optical properties   Chukwuemeka Okoye
• [Wien] Optical properties   Chukwuemeka Okoye
• [Wien] Optical properties   Torsten Andersen
• [Wien] Optical properties   Chukwuemeka Okoye
• [Wien] Optical properties   Fred Nastos
• [Wien] Optical properties   whoming at sohu.com
• [Wien] Optical properties with spin-orbit   Chukwuemeka Okoye
• [Wien] optical property   M.Y.Wu
• [Wien] optical property   Oscar D. Restrepo
• [Wien] optical property   Peter Blaha
• [Wien] optical property   M.Y.Wu
• [Wien] optical property   Peter Blaha
• [Wien] optical property   M.Y.Wu
• [Wien] optical property   M.Y.Wu
• [Wien] optical property   Peter Blaha
• [Wien] optical property   M.Y.Wu
• [Wien] optimize error for fcc Ni   Sergio L. Palacios
• [Wien] plot surface charge density?   蔡 孟秋
• [Wien] Positron anihilation and Doppler broadening   atlino
• [Wien] Problem with orbital moment.   Ruben Weht
• [Wien] Problem with orbital moment.   jan kunes
• [Wien] Problem with orbital moment.   Ruben Weht
• [Wien] processor cache / memory bus speed   wiener at arcscluster.caltech.edu
• [Wien] ROTDEF error in Optical calculations   yanming Ma
• [Wien] ROTDEF error in Optical calculations   Jorissen Kevin
• [Wien] ROTDEF error in Optical calculations   yanming Ma
• [Wien] ROTDEF error in Optical calculations   Jorissen Kevin
• [Wien] ROTDEF error in Optical calculations   yanming Ma
• [Wien] ROTDEF error in Optical calculations   Jorissen Kevin
• [Wien] ROTDEF error in Optical calculations   yanming Ma
• [Wien] ROTDEF error in Optical calculations   Peter Blaha
• [Wien] ROTDEF error in Optical calculations   yanming Ma
• [Wien] scfmonitor / analyse not found   wiener at arcscluster.caltech.edu
• [Wien] scfmonitor / analyse not found   Joachim Luitz
• [Wien] scfmonitor / analyse not found   Peter Blaha
• [Wien] scfmonitor / analyse not found   Peter Blaha
• [Wien] some elnes scripts   Jorissen Kevin
• [Wien] some question about parallel calculation   Dong YuHui
• [Wien] some question about parallel calculation   Stefaan Cottenier
• [Wien] spin polarized troubles in wien2k   atlino
• [Wien] surface calculations   ram kumar thapa
• [Wien] symmetry and *in2   Jack London
• [Wien] symmetry and *in2   Peter Blaha
• [Wien] symmetry and *in2   Jack London
• [Wien] symmetry and *in2   Jack London
• [Wien] symmetry and *in2   Peter Blaha
• [Wien] symmetry and *in2   Jack London
• [Wien] symmetry and *in2   Jack London
• [Wien] system comfiguration   Gippius Andrei
• [Wien] system comfiguration   L. D. Marks
• [Wien] tetrahedron BZ integration   Jorissen Kevin
• [Wien] tetrahedron BZ integration   Fred Nastos
• [Wien] tetrahedron BZ integration   Jorissen Kevin
• [Wien] tetrahedron BZ integration   Fred Nastos
• [Wien] tetrahedron BZ integration   Peter Blaha
• [Wien] the *.struct file   liuzw03 at st.lzu.edu.cn
• [Wien] the *.struct file   Torsten Andersen
• [Wien] Ti L_III spectrum of TiC   Harry John Gotsis
• [Wien] Ti3B4: Crystal Structure   krutibas panda
• [Wien] Ti3B4: Crystal Structure   thomas.mazet
• [Wien] undefined function calls when linking to BLAS/LAPACK   kjharris
• [Wien] undefined function calls when linking to BLAS/LAPACK   Peer Kruse
• [Wien] undefined function calls when linking to BLAS/LAPACK   pieper at ifp.tuwien.ac.at
• [Wien] undefined function calls when linking to BLAS/LAPACK   kjharris
• [Wien] undefined function calls when linking to BLAS/LAPACK   kjharris
• [Wien] undefined function calls when linking to BLAS/LAPACK   Peter Blaha
• [Wien] undefined function calls when linking to BLAS/LAPACK   pieper at ifp.tuwien.ac.at
• [Wien] Wavefunctions out of IBZ   Chiung-Yuan Lin
• [Wien] Wavefunctions out of IBZ   Fred Nastos
• [Wien] Wavefunctions out of IBZ   Jorissen Kevin
• [Wien] Wavefunctions out of IBZ   Fred Nastos
• [Wien] What is the matter in the step of x sgroup?   panzhijun2002
• [Wien] What is the matter in the step of x sgroup?   Stefaan Cottenier
• [Wien] What is the matter in the step of x sgroup?   Torsten Andersen
• [Wien] Which spacegroups?   L. D. Marks
• [Wien] Which spacegroups?   Peter Blaha
• [Wien] Wien compilation in IBM SP4   Roberto Alonso
• [Wien] Wien compilation in IBM SP4   Torsten Andersen
• [Wien] Wien2k and XCrySDen problems (electron density plots)   Jakob B. Wagner
• [Wien] WIEN2k_04.1   Peter Blaha
• [Wien] X-ray spectra   Harry Gotsis
• [Wien] X-ray spectra   Peter Blaha
• [Wien] xcrysden   ram kumar thapa
• [Wien] xcrysden   Jorissen Kevin

Last message date: Mon May 31 22:51:30 CEST 2004
Archived on: Wed Jul 6 14:14:15 CEST 2005

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