June 2004 Archives by author

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Starting: Tue Jun 1 05:21:36 CEST 2004
Ending: Wed Jun 30 22:39:28 CEST 2004
Messages: 205

• [Wien] plot isodensity contours   bouhadi amel
• [Wien] surface calculations convergence   yvon billa
• [Wien] compilmation on AIX system   yvon billa
• [Wien] re : Supercells - what is the right procedure to create an acceptable one?   George Amolo
• [Wien] re : Supercells - what is the right procedure to create an acceptable one?]   George Amolo
• [Wien] re : encoded response messages from Kevin Jorrisen   George Amolo
• [Wien] re : Wien2k_04 update   George Amolo
• [Wien] re : TiO2 example   George Amolo
• [Wien] surface calculations   Torsten Andersen
• [Wien] vector file   Torsten Andersen
• [Wien] re : Supercells - what is the right procedure to create an acceptable one?   Torsten Andersen
• [Wien] re : Supercells - what is the right procedure to create an acceptable one?]   Torsten Andersen
• [Wien] non-rectangular cell   Torsten Andersen
• [Wien] about klist_band file   Torsten Andersen
• [Wien] Re: [Wien] which compiler？   Yinon Ashkenazy
• [Wien] lapw7   Dr. B.R.Sahu
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Emilio Orgaz Baqu é
• [Wien] question   Rezaei Behrooz
• [Wien] Lattic Type for wz structure   Rezaei Behrooz
• [Wien] spin polarized troubles in wien2k   Peter Blaha
• [Wien] about w2web   Peter Blaha
• [Wien] WIEN workshop at Pennstate   Peter Blaha
• [Wien] Convergence: fixed-spin-moment or not?   Peter Blaha
• [Wien] parallel error   Peter Blaha
• [Wien] QTL parallelization   Peter Blaha
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Peter Blaha
• [Wien] convergence failed!   Peter Blaha
• [Wien] w2web --> upload   Peter Blaha
• [Wien] no energy limits found for L= 0B   Peter Blaha
• [Wien] non-rectangular cell   Peter Blaha
• [Wien] non-rectangular cell   Peter Blaha
• [Wien] non-rectangular cell   Peter Blaha
• [Wien] non-rectangular cell   Peter Blaha
• [Wien] how to obtain the spin up and spin down valence electron number of the atom for different l-schell   Peter Blaha
• [Wien] Meta-GGA   Peter Blaha
• [Wien] error in lapw2   Peter Blaha
• [Wien] Minimization: acceptable approximations   Peter Blaha
• [Wien] specific heat factor   Peter Blaha
• [Wien] positive Fermi energy   Peter Blaha
• [Wien] runsp_lapw -orb stop   Peter Blaha
• [Wien] energy scale zero and average IS-potential   Peter Blaha
• [Wien] non-rectangular cell   Peter Blaha
• [Wien] k-point sampling   Peter Blaha
• [Wien] specific heat factor   Peter Blaha
• [Wien] Plane waves exhausted error   Peter Blaha
• [Wien] convergence of Bader (aim) calculations   Peter Blaha
• [Wien] surface calculations convergence   Peter Blaha
• [Wien] Bandstructure calculation of Bi   Carrier, Pierre
• [Wien] Bandstructure calculation of Bi   Carrier, Pierre
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Dariusz Chrobak
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Dariusz Chrobak
• [Wien] coefficients needed to express psi(n,k)   Dariusz Chrobak
• [Wien] coefficients needed to express psi(n,k)   Dariusz Chrobak
• [Wien] Simple Question   Stefaan Cottenier
• [Wien] Simple Question   Stefaan Cottenier
• [Wien] force convergence   Stefaan Cottenier
• [Wien] simple question.   Stefaan Cottenier
• [Wien] Post compile errors   Michael Gurnett
• [Wien] scalar relativistic lstart   Javad Hashemifar
• [Wien] plot isodensity contours   Javad Hashemifar
• [Wien] LAPW1.ERROR   Javad Hashemifar
• [Wien] convergence failed!   Javad Hashemifar
• [Wien] DOS   Javad Hashemifar
• [Wien] DOS- Coordinates   Javad Hashemifar
• [Wien] (no subject)   Javad Hashemifar
• [Wien] Meta-GGA   Javad Hashemifar
• [Wien] DOS Ry to eV   Javad Hashemifar
• [Wien] non-rectangular cell   Mahbube Hortamani
• [Wien] non-rectangular cell   Mahbube Hortamani
• [Wien] non-rectangular cell   Mahbube Hortamani
• [Wien] non-rectangular cell   Mahbube Hortamani
• [Wien] non-rectangular cell   Mahbube Hortamani
• [Wien] Compilation Wien2k on Cray T3E   Renate Dohmen INF
• [Wien] Post compile errors   Renate Dohmen INF
• [Wien] ifort (ifc) 8.0 and mkl6.1   Renate Dohmen INF
• [Wien] w2web --> upload   Renate Dohmen INF
• [Wien] w2web --> upload   Renate Dohmen INF
• [Wien] elnes of graphene   Jorissen Kevin
• [Wien] Using Monkhorst mesh for SCF   Jorissen Kevin
• [Wien] LAPW1.ERROR   Jorissen Kevin
• [Wien] question   Jorissen Kevin
• [Wien] DOS Ry to eV   Jorissen Kevin
• [Wien] xcrysden   Jorissen Kevin
• [Wien] coefficients needed to express psi(n,k)   Jorissen Kevin
• [Wien] k-point sampling   Jorissen Kevin
• [Wien] error in lapw2   Jorissen Kevin
• [Wien] "SPHBES"_Error   Jorissen Kevin
• [Wien] ROTDEF error in Optical calculations   Jorissen Kevin
• [Wien] tetrahedron BZ integration   Jorissen Kevin
• [Wien] coefficients needed to express psi(n,k)   Jorissen Kevin
• [Wien] runsp_lapw -p (LAPW1 crashed!)   Jorissen Kevin
• [Wien] k-point sampling   Jorissen Kevin
• [Wien] k-point sampling   Jorissen Kevin
• [Wien] convergence of Bader (aim) calculations   Jorissen Kevin
• [Wien] compilmation on AIX system   Jorissen Kevin
• [Wien] convergence of Bader (aim) calculations   Jorissen Kevin
• [Wien] about the zero point of E   Jorissen Kevin
• [Wien] Multipoles   Peer Kruse
• [Wien] Multipoles   Peer Kruse
• [Wien] GMAX   Peer Kruse
• [Wien] GMAX   Claudio Lee
• [Wien] which compiler？   DW Liu
• [Wien] MPI problems   Enrique Lomba
• [Wien] Convergence: fixed-spin-moment or not?   L. D. Marks
• [Wien] Post compile errors   L. D. Marks
• [Wien] ifort (ifc) 8.0 and mkl 6.1   L. D. Marks
• [Wien] re : Supercells - what is the right procedure to create an acceptable one?   L. D. Marks
• [Wien] non-rectangular cell   L. D. Marks
• [Wien] re : Wien2k_04 update   L. D. Marks
• [Wien] problem with ifort+mkl6.1   L. D. Marks
• [Wien] non-rectangular cell   L. D. Marks
• [Wien] Minimization: acceptable approximations   L. D. Marks
• [Wien] Meta-GGA   L. D. Marks
• [Wien] k-point sampling   L. D. Marks
• [Wien] k-point sampling: clarification   L. D. Marks
• [Wien] k-point sampling   L. D. Marks
• [Wien] k-point sampling   L. D. Marks
• [Wien] Plane waves exhausted error   L. D. Marks
• [Wien] Plane waves exhausted error   L. D. Marks
• [Wien] AFM & case.in1   L. D. Marks
• [Wien] no energy limits found for L= 0B   Vinayak Mishra
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Pablo de la Mora
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Pablo de la Mora
• [Wien] Multipoles   Fotios Nastos
• [Wien] Bandstructure calculation of Bi   Fred Nastos
• [Wien] Optical calculations with spin-orbit   Fred Nastos
• [Wien] Optical calculations with spin-orbit   Fred Nastos
• [Wien] Optical calculations with spin-orbit   Fred Nastos
• [Wien] elnes of graphene   Rebecca Nicholls
• [Wien] elnes of graphene   Rebecca Nicholls
• [Wien] Optical calculations with spin-orbit   Chukwuemeka Okoye
• [Wien] Optical calculations with spin-orbit   Chukwuemeka Okoye
• [Wien] problem with ifort+mkl6.1   Mahmoud Payami
• [Wien] problem with ifort+mkl6.1   Mahmoud Payami
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Mahmoud Payami
• [Wien] QTL parallelization   Leonardo Pisani
• [Wien] DOS   Leonardo Pisani
• [Wien] Compilation Wien2k on Cray T3E   Alberto Rubio Ponce
• [Wien] photoemission   R.K.Thapa
• [Wien] energy scale zero and average IS-potential   David Sedmidubsky
• [Wien] rhoplot   Travis Sefzik
• [Wien] Hyperfine field of FCC-Ni   Shunli Shang
• [Wien] force convergence   Jeff Spirko
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Jeff Spirko
• [Wien] calculation of orbital energy   Hiroki Takahashi
• [Wien] Using Monkhorst mesh for SCF   Nandan Tandon
• [Wien] vector file   Zhou Taojun
• [Wien] Problem with Goto library on Itanium2 ...   Vladimir Timochevski
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Veerle Vanhoof
• [Wien] ifort (ifc) 8.0 and mkl 6.1   Veerle Vanhoof
• [Wien] Bandstructure calculation of Bi   Jakob B. Wagner
• [Wien] Bandstructure calculation of Bi   Jakob B. Wagner
• [Wien] (no subject)   Yushan Wang
• [Wien] simple question.   Yushan Wang
• [Wien] about the zero point of E   Yushan Wang
• [Wien] specific heat factor   Ruben Weht
• [Wien] about chemical valence of element   Hongming Weng
• [Wien] Bandstructure of LSDA+U+SO   Hongming Weng
• [Wien] about klist_band file   WANG Yuan Xu
• [Wien] how to obtain the spin up and spin down valence electron number of the atom for different l-schell   Yang, Jinbo
• [Wien] how to obtain the spin up and spin down valence electron number of the atom for different l-schell   Yang, Jinbo
• [Wien] Simple Question   Sherif Yehia
• [Wien] Simple Question   Sherif Yehia
• [Wien] DOS- Coordinates   Sherif Yehia
• [Wien] DOS- Coordinates   Sherif Yehia
• [Wien] DOS- Coordinates   Sherif Yehia
• [Wien] Some info on 1525-097 READ statement error during scf cycle   Tianjiao Zhang
• [Wien] non-rectangular cell   Tianjiao Zhang
• [Wien] (no subject)   Bing Zhou
• [Wien] can't open case.scf_mini   Bing Zhou
• [Wien] can't open case.scf_mini   Bing Zhou
• [Wien] about LoadLeveler   sayede adlane
• [Wien] about LoadLeveler   sayede adlane
• [Wien] "SPHBES"_Error   farzad ahmadian
• [Wien] rhoplot   farzad ahmadian
• [Wien] runsp_lapw -orb stop   ccmp at nju.edu.cn
• [Wien] about LoadLeveler   ccmp at nju.edu.cn
• [Wien] about LoadLeveler   ccmp at nju.edu.cn
• [Wien] runsp_lapw -p (LAPW1 crashed!)   ccmp at nju.edu.cn
• [Wien] DOS Ry to eV   fabella
• [Wien] specific heat factor   georg at chem.au.dk
• [Wien] error in lapw2   shokoufe khosravi
• [Wien] Unsubscribing   krause at if.ufrgs.br
• [Wien] specific heat factor   jan kunes
• [Wien] specific heat factor   jan kunes
• [Wien] LAPW1.ERROR   chahra mef
• [Wien] k-list for the Do22 structure   chahra mef
• [Wien] k-list for the Do22 structure   chahra mef
• [Wien] convergence failed!   my_peak at ywzc.net
• [Wien] FERMI-Error   krutibas panda
• [Wien] FERMI-Error   krutibas panda
• [Wien] How to get the total DOS for the atom of a kind in a big supercell?   panzhijun2002
• [Wien] Post compile errors   rkthapa
• [Wien] DOS- Coordinates   sedigheh sirousi
• [Wien] DOS- Coordinates   sedigheh sirousi
• [Wien] Need Help.   ss ss
• [Wien] positive Fermi energy   ss ss
• [Wien] density matrix   stargmoon
• [Wien] force convergence   stargmoon
• [Wien] Post compile errors   strutza at bgumail.bgu.ac.il
• [Wien] Post compile errors   strutza at bgumail.bgu.ac.il
• [Wien] about w2web   whoming at sohu.com
• [Wien] about w2web   whoming at sohu.com
• [Wien] parallel error in lapw1   yulihua-wh at sohu.com
• [Wien] parallel error   yulihua-wh at sohu.com

Last message date: Wed Jun 30 22:39:28 CEST 2004
Archived on: Wed Jul 6 14:14:17 CEST 2005

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