November 2006 Archives by author

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Starting: Wed Nov 1 00:44:48 CEST 2006
Ending: Thu Nov 30 21:49:09 CEST 2006
Messages: 231

• [Wien] query   Torsten Andersen
• [Wien] Volume optimization and equilibrium position of atoms in orthorhombic lattice   Torsten Andersen
• [Wien] Optical conductivity of BCC Fe with (001 ) magnetization direction.   Torsten Andersen
• [Wien] Volume optimization and equilibrium position of atoms in orthorhombic lattice   Torsten Andersen
• [Wien] optimising volume for hematite   Torsten Andersen
• [Wien] I want to divide MAE into K1 and K2   Torsten Andersen
• [Wien] Wien 2K Startup   Torsten Andersen
• [Wien] Wien 2K Startup   Torsten Andersen
• [Wien] Wien 2K Startup   Torsten Andersen
• [Wien] Wien 2K Startup   Torsten Andersen
• [Wien] a question about mini   John Appleton
• [Wien] spin orbit coupling with in1new   John Appleton
• [Wien] a question about mini   John Appleton
• [Wien] MD Simulations   Atta-fynn, Raymond
• [Wien] spin density   Indrajit Bandyopadhyay
• [Wien] problem with construction of supercell   Benali Ben
• [Wien] hyper fine field on different platforms   Peter Blaha
• [Wien] Never converging   Peter Blaha
• [Wien] memory setup   Peter Blaha
• [Wien] About band structure calculation when using spin orbit coupling and LDA+U   Peter Blaha
• [Wien] What type of CPU's for big calculations?   Peter Blaha
• [Wien] What type of CPU's for big calculations?   Peter Blaha
• [Wien] problems in lapw3   Peter Blaha
• [Wien] weird parallel problem   Peter Blaha
• [Wien] Help regarding contributions to toal energy   Peter Blaha
• [Wien] queueing system and w2web   Peter Blaha
• [Wien] XCPOT3-error in lapw0 calculation   Peter Blaha
• [Wien] How to obtain the input data of distorted lattice of non-cubic crystal?   Peter Blaha
• [Wien] How to obtain the input data of distorted lattice of non-cubic crystal?   Peter Blaha
• [Wien] jiont error   Florent Boucher
• [Wien] PBS script for scratch directory   Florent Boucher
• [Wien] seclr4.f   Florent Boucher
• [Wien] Error compile information in Linux 9.0 system   Tobias Burnus
• [Wien] geometry of interfaces   Chandrika
• [Wien] changing inst file   Chandrika
• [Wien] optimising volume for hematite   Chandrika
• [Wien] optimising volume for hematite   Chandrika
• [Wien] optimising volume for hematite   Chandrika
• [Wien] software for molecule building   Chandrika
• [Wien] MD Simulations   Stefaan Cottenier
• [Wien] Error compile information in Linux 9.0 system   Stefaan Cottenier
• [Wien] Error compile information in Linux 9.0 system   Stefaan Cottenier
• [Wien] About band structure calculation when using spin orbit coupling and LDA+U   Stefaan Cottenier
• [Wien] what's the difference between the fitting Murnaghan’s equation of state and the minimizing total energy method?   Stefaan Cottenier
• [Wien] about Murnaghan's EOS equation   Stefaan Cottenier
• [Wien] How to apply antiferromagnetic calculations on N atom   Stefaan Cottenier
• [Wien] weird parallel problem   Stefaan Cottenier
• [Wien] optimising volume for hematite   Stefaan Cottenier
• [Wien] seclr4.f   Stefaan Cottenier
• [Wien] seclr4.f   Stefaan Cottenier
• [Wien] Wien 2K Startup   Stefaan Cottenier
• [Wien] orbital moment   Stefaan Cottenier
• [Wien] Wien 2K Startup   Stefaan Cottenier
• [Wien] seclr4.f   Stefaan Cottenier
• [Wien] Wien 2K Startup   Stefaan Cottenier
• [Wien] help for more k-points!   Stefaan Cottenier
• [Wien] Wien 2K Startup   Stefaan Cottenier
• [Wien] How to tell Wien where the scratch directory is?   Stefaan Cottenier
• [Wien] orbital moment   Stefaan Cottenier
• [Wien] Wien 2K Startup   Stefaan Cottenier
• [Wien] Can Wien2k use with virtual crystal or pseudo atom?   Stefaan Cottenier
• [Wien] Can Wien2k use with virtual crystal or pseudo atom?   Stefaan Cottenier
• [Wien] Question regarding clmsum   Stefaan Cottenier
• [Wien] Volume optimization and equilibrium position of atoms in orthorhombic lattice   Joey Davis
• [Wien] Bandstructure with band character plotting by using LDA+U+so   Joey Davis
• [Wien] Bandstructure with band character plotting by using LDA+U+so   Joey Davis
• [Wien] Volume optimization and equilibrium position of atoms in orthorhombic lattice   Joey Davis
• [Wien] Volume optimization and equilibrium position of atoms in orthorhombic lattice   Joey Davis
• [Wien] hyper fine field on different platforms   Lyudmila Dobysheva
• [Wien] How to explain the energy order of d-state for Zn and Cd atom?   H. Duan
• [Wien] memory setup   Ricardo Faccio
• [Wien] hyper fine field on different platforms   Gerhard Fecher
• [Wien] How to calculate the U value for d1 ion   Gerhard Fecher
• [Wien] What type of CPU's for big calculations?   Gerhard Fecher
• [Wien] Error compile information in Linux 9.0 system   Gerhard H Fecher
• [Wien] Compiling problem with wien2k_06   Gerhard H Fecher
• [Wien] Compiling problem with wien2k_06   Gerhard H Fecher
• [Wien] A question about RMT and AIM   G.C.ZHOU
• [Wien] compilation commands for IFORT and pb with ghost bands   Souraya GOUMRI-SAID
• [Wien] Compiling problem with wien2k_06   Michael Gurnett
• [Wien] lapw2 problem on xeon mac   Michael Gurnett
• [Wien] lapw2 problem on xeon mac   Michael Gurnett
• [Wien] structeditor   Michael Gurnett
• [Wien] structeditor   Michael Gurnett
• [Wien] hyper fine field on different platforms   Björn Hülsen
• [Wien] hyper fine field on different platforms   Björn Hülsen
• [Wien] about write_in1_lapw   Björn Hülsen
• [Wien] Direction of magnetization in case.inso   Roberto Iglesias
• [Wien] Conductivity tensor elements   Roberto Iglesias
• [Wien] JOINT band analysis   Roberto Iglesias
• [Wien] lda+u initialization problem   Saeid Jalali
• [Wien] [WIEN]Maybe It is a Mini-Bug in Joint   Jun Jiang
• [Wien] Plots of exchange-correlation potential using lapw5c   Yang Jiong
• [Wien] I can't have bandstructure calculated: "if: Malformed file inquiry."   John
• [Wien] Can Wien2k use with virtual crystal or pseudo atom?   John
• [Wien] Can Wien2k use with virtual crystal or pseudo atom?   John
• [Wien] Wien 2K Startup [Thanks]   Malik Muhammad Junaid
• [Wien] Version 6.4   Miyoung Kim
• [Wien] weird parallel problem   Martin Kroeker
• [Wien] weird parallel problem   Martin Kroeker
• [Wien] weird parallel problem   Martin Kroeker
• [Wien] Help regarding contributions to toal energy   Dr. Anjali Kshirsagar
• [Wien] wienncm   Robert Laskowski
• [Wien] wienncm   Robert Laskowski
• [Wien] wienncm   Yongbin Lee
• [Wien] wienncm   Yongbin Lee
• [Wien] wienncm   Yongbin Lee
• [Wien] Error compile information in Linux 9.0 system   crazy Li
• [Wien] Error compile information in Linux 9.0 system   crazy Li
• [Wien] [SPAM?] How to apply antiferromagnetic calculations on N atom   Haiming Li
• [Wien] B_exc   Chiung-Yuan Lin
• [Wien] Can two band structures be added together?   M04_杨炯
• [Wien] CNT doping   MOgawa
• [Wien] Wien 2K Startup   Malik
• [Wien] Wien 2K Startup   Malik
• [Wien] Wien 2K Startup   Malik
• [Wien] Wien 2K Startup   Malik
• [Wien] Wien 2K Startup   Malik
• [Wien] Wien 2K Startup   Malik
• [Wien] Wien 2K Startup   Malik
• [Wien] Wien 2K Startup   Malik
• [Wien] Wien 2K Startup   Malik
• [Wien] Error compile information in Linux 9.0 system   Laurence Marks
• [Wien] Error compile information in Linux 9.0 system   Laurence Marks
• [Wien] about write_in1_lapw   Laurence Marks
• [Wien] What type of CPU's for big calculations?   Laurence Marks
• [Wien] lapw2 problem on xeon mac   Laurence Marks
• [Wien] lapw2 problem on xeon mac   Laurence Marks
• [Wien] weird parallel problem   Laurence Marks
• [Wien] weird parallel problem   Laurence Marks
• [Wien] Plots of exchange-correlation potential using lapw5c   Laurence Marks
• [Wien] seclr4.f   Laurence Marks
• [Wien] seclr4.f   Laurence Marks
• [Wien] A question about RMT and AIM   Laurence Marks
• [Wien] How to obtain total DOS from partial DOS   Shu Miao
• [Wien] WIEN2k on MacOSX   Masayoshi Mikami
• [Wien] Compiling problem with wien2k_06   Narasimham Mulakaluri
• [Wien] Compiling problem with wien2k_06   Narasimham Mulakaluri
• [Wien] (no subject)   guangxin Ni
• [Wien] How to setup the input files for a ferrimagnetic system   Yung-mau Nie
• [Wien] (no subject)   Iglesias Roberto
• [Wien] Compiling problem with wien2k_06   Andrea Salguero
• [Wien] query   Nirpendra Singh
• [Wien] Error during optimize of Cinnabar structure   Nandan Tandon
• [Wien] LDA+U   Trond.Brudevoll at ffi.no
• [Wien] Plots of exchange-correlation potential using lapw5c   Antoine Villesuzanne
• [Wien] Plots of exchange-correlation potential using lapw5c   Antoine Villesuzanne
• [Wien] Plots of exchange-correlation potential using lapw5c   Antoine Villesuzanne
• [Wien] (no subject)   Hua Wu
• [Wien] Error compile information in Linux 9.0 system   Hongjun Xiang
• [Wien] Error compile information in Linux 9.0 system   Hongjun Xiang
• [Wien] A little suggestion for spaghetti   Hongjun Xiang
• [Wien] About band structure calculation when using spin orbit coupling and LDA+U   Hongjun Xiang
• [Wien] About band structure calculation when using spin orbit coupling and LDA+U   Hongjun Xiang
• [Wien] Error compile information in Linux 9.0 system   Hongjun Xiang
• [Wien] How to calculate the U value for d1 ion   Hongjun Xiang
• [Wien] How to calculate the U value for d1 ion   Hongjun Xiang
• [Wien] PBS script for scratch directory   Hongjun Xiang
• [Wien] Making run_lapw use the scratch space   Hongjun Xiang
• [Wien] Wien 2K Startup   Hongjun Xiang
• [Wien] problems in lapw3   B. Yanchitsky
• [Wien] problems in lapw3   B. Yanchitsky
• [Wien] problems in lapw3   B. Yanchitsky
• [Wien] Do the fractional (x, y, z) of atoms change after applying strains when calculating the elastic constants?   Jian Zhu
• [Wien] How to obtain the input data of distorted lattice of non-cubic crystal?   Jian Zhu
• [Wien] How to obtain the input data of distorted lattice of non-cubic crystal?   Jian Zhu
• [Wien] How to obtain the input data of distorted lattice of non-cubic crystal?   Jian Zhu
• [Wien] cohesive energy LiBH4   youcef bouhadda
• [Wien] Can Wien2k use with virtual crystal or pseudo atom?   ebruno at unime.it
• [Wien] seclr4.f   georg at chem.au.dk
• [Wien] seclr4.f   georg at chem.au.dk
• [Wien] spin density   Javad hashemifar
• [Wien] problem with construction of supercell   Javad hashemifar
• [Wien] Wien 2K Startup   Javad hashemifar
• [Wien] orbital moment   Javad hashemifar
• [Wien] bulk and surface DOS's discrepancy   Javad hashemifar
• [Wien] orbital moment   Javad hashemifar
• [Wien] Wien 2K Startup   Javad hashemifar
• [Wien] compiling in fedora 6   hongch
• [Wien] jiont error   huangyunmi
• [Wien] Never converging   jadhikari at clarku.edu
• [Wien] PBS script for scratch directory   jadhikari at clarku.edu
• [Wien] Making run_lapw use the scratch space   jadhikari at clarku.edu
• [Wien] How to tell Wien where the scratch directory is?   jadhikari at clarku.edu
• [Wien] Question regarding clmsum   jadhikari at clarku.edu
• [Wien] Question regarding clmsum   jadhikari at clarku.edu
• [Wien] subscribing wien mailing list   samaneh javan
• [Wien] xyz2struct   samaneh javan
• [Wien] How to run the runamf_lapw with LDA+U   kongshi
• [Wien] [SPAM?] RE: queueing system and w2web   leesc at kist.re.kr
• [Wien] [SPAM?] RE: queueing system and w2web   leesc at kist.re.kr
• [Wien] xyz2struct   leesc at kist.re.kr
• [Wien] [SPAM?] RE: Re: xyz2struct   leesc at kist.re.kr
• [Wien] bulk and surface DOS's discrepancy   leesc at kist.re.kr
• [Wien] bulk and surface DOS's discrepancy   leesc at kist.re.kr
• [Wien] [SPAM?] RE: Re: orbital moment   leesc at kist.re.kr
• [Wien] bulk and surface DOS's discrepancy   leesc at kist.re.kr
• [Wien] Wien 2K Startup   leesc at kist.re.kr
• [Wien] [SPAM?] RE: Re: [SPAM?] RE: queueing system and w2web   leesc at kist.re.kr
• [Wien] [SPAM?] RE: orbital moment   leesc at kist.re.kr
• [Wien] [SPAM?] RE: Re: seclr4.f   leesc at kist.re.kr
• [Wien] [SPAM?] RE: [SPAM?] RE: Re: xyz2struct   leesc at kist.re.kr
• [Wien] [SPAM?] RE: Re: Wien 2K Startup   leesc at kist.re.kr
• [Wien] seclr4.f   leesc at kist.re.kr
• [Wien] [SPAM?] RE: CNT doping   leesc at kist.re.kr
• [Wien] [SPAM?] RE: Re: Wien 2K Startup [Thanks]   leesc at kist.re.kr
• [Wien] queueing system and w2web   leesc at kist.re.kr
• [Wien] [SPAM?] RE: Re: bulk and surface DOS's discrepancy   leesc at kist.re.kr
• [Wien] hi   mad med
• [Wien] surface potential   Mohammad mmt
• [Wien] seclr4.f   morteza rafiee
• [Wien] seclr4.f   morteza rafiee
• [Wien] seclr4.f   morteza rafiee
• [Wien] seclr4.f   morteza rafiee
• [Wien] bulk and surface DOS's discrepancy   morteza rafiee
• [Wien] Optical conductivity of fcc(001) Co with (001 ) magnetization direction.   swarup saha
• [Wien] swarup saha wants to chat   swarup saha
• [Wien] What type of CPU's for big calculations?   shaposh at isp.nsc.ru
• [Wien] need help!   shouxincui shouxincui
• [Wien] Optical conductivity of BCC Fe with (001 ) magnetization direction.   shouxincui shouxincui
• [Wien] Optical conductivity of fcc(001) Co with (001 ) magnetization direction.   shouxincui shouxincui
• [Wien] help for more k-points!   shouxincui shouxincui
• [Wien] help for more k-points!   shouxincui shouxincui
• [Wien] I want to divide MAE into K1 and K2   yasuharu_shiraishi at fujifilm.co.jp
• [Wien] I want to divide MAE into K1 and K2   yasuharu_shiraishi at fujifilm.co.jp
• [Wien] XCPOT3-error in lapw0 calculation   yukihiro_okuno at fujifilm.co.jp
• [Wien] queueing system and w2web   Марина Шеляпина
• [Wien] what's the difference between the fitting Murnaghan’s equation of state and the minimizing total energy method?   段鹤
• [Wien] about Murnaghan's EOS equation   段鹤
• [Wien] ask for help!   夫波 田
• [Wien] LDA+U   心 陈

Last message date: Thu Nov 30 21:49:09 CEST 2006
Archived on: Thu Nov 30 21:49:16 CEST 2006

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