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2011/09/27 [Wien] phonon calculation Laurence Marks
2011/09/27 [Wien] phonon calculation Yundi Quan
2011/09/27 [Wien] phonon calculation Stefaan Cottenier
2011/09/26 [Wien] phonon calculation Yundi Quan
2011/09/26 [Wien] phonon calculation Ghosh SUDDHASATTWA
2011/09/26 [Wien] A question about the implementation of XSPEC John McLeod
2011/09/26 [Wien] a small bug in TELNES3.0 Kevin Jorissen
2011/09/26 [Wien] A question about the implementation of XSPEC Kevin Jorissen
2011/09/26 [Wien] A question about the implementation of XSPEC John McLeod
2011/09/26 [Wien] difficult to converge Laurence Marks
2011/09/26 [Wien] difficult to converge Yundi Quan
2011/09/26 [Wien] phonon calculation Yundi Quan
2011/09/26 [Wien] phonon calculation Ghosh SUDDHASATTWA
2011/09/26 [Wien] Job offer ROBERTO LUIS IGLESIAS PASTRANA
2011/09/26 [Wien] radial mesh for total energy Laurence Marks
2011/09/26 [Wien] radial mesh for total energy Yundi Quan
2011/09/26 [Wien] phonon calculation Yundi Quan
2011/09/26 [Wien] Fw: BoltzTraP - case.intrans Malgorzata Bukala
2011/09/25 [Wien] 2D fermisurface generation Peter Blaha
2011/09/25 [Wien] radial mesh for total energy Peter Blaha
2011/09/25 [Wien] 2D fermisurface generation 丁明翠
2011/09/25 [Wien] radial mesh for total energy Yundi Quan
2011/09/24 [Wien] IBM Blue Gene Peter Blaha
2011/09/23 [Wien] Fw: BoltzTraP - case.intrans Laurence Marks
2011/09/23 [Wien] IBM Blue Gene Lee, Yongbin [A LAB]
2011/09/23 [Wien] Fw: BoltzTraP - case.intrans Gerhard Fecher
2011/09/23 [Wien] Fw: BoltzTraP - case.intrans Malgorzata Bukala
2011/09/22 [Wien] parallel computation Peter Blaha
2011/09/22 [Wien] a small bug in TELNES3.0 ZhenChen
2011/09/22 [Wien] parallel computation Yundi Quan
2011/09/22 [Wien] 2 PhD positions at Virginia Tech Celine Hin
2011/09/22 [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell Qiwen YAO
2011/09/22 [Wien] [GGA+U] with AFM and Spin-Orbit Coupling t...@theochem.tuwien.ac.at
2011/09/22 [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell Peter Blaha
2011/09/22 [Wien] [GGA+U] with AFM and Spin-Orbit Coupling Ghosh SUDDHASATTWA
2011/09/22 [Wien] Magnetic susceptibility and LDA+U Viktor Zano
2011/09/22 [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell Stefaan Cottenier
2011/09/22 [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell Qiwen YAO
2011/09/21 [Wien] Tetra NaN problem solved Parker, David S.
2011/09/21 [Wien] PhD position in Vienna Peter Blaha
2011/09/20 [Wien] Problem in Elast output-reg. Peter Blaha
2011/09/20 [Wien] Problem in Elast output-reg. jaya anand
2011/09/20 [Wien] non-shared memory YONGBIN LEE
2011/09/20 [Wien] non-shared memory Yundi Quan
2011/09/20 [Wien] show MAHDI SALMANI HIRMAND
2011/09/20 [Wien] testpara1_lapw Yundi Quan
2011/09/19 [Wien] change convergence criteria Yundi Quan
2011/09/19 [Wien] change convergence criteria Peter Blaha
2011/09/19 [Wien] non-shared memory Peter Blaha
2011/09/19 [Wien] bug in join_vectorfiles Peter Blaha
2011/09/19 [Wien] change convergence criteria Yundi Quan
2011/09/19 [Wien] non-shared memory Yundi Quan
2011/09/19 [Wien] bug in join_vectorfiles Maxim Rakitin
2011/09/19 [Wien] segmentation fault Peter Blaha
2011/09/19 [Wien] segmentation fault Mojtaba Zareii
2011/09/19 [Wien] bug in join_vectorfiles Peter Blaha
2011/09/19 [Wien] bug in join_vectorfiles katrusiat
2011/09/19 [Wien] hubbard Us on two orbitals at the same atom t...@theochem.tuwien.ac.at
2011/09/18 [Wien] optimization notes- Marks2004 Viktor Zano
2011/09/18 [Wien] optimization notes- Marks2004 Gavin Abo
2011/09/18 [Wien] optimization notes- Marks2004 Viktor Zano
2011/09/17 [Wien] hubbard Us on two orbitals at the same atom Bin Shao
2011/09/17 [Wien] optimization notes- Marks2004 Viktor Zano
2011/09/17 [Wien] optimization notes- Marks2004 Laurence Marks
2011/09/17 [Wien] optimization notes- Marks2004 Viktor Zano
2011/09/16 [Wien] 4-D optimization Viktor Zano
2011/09/16 [Wien] Symmetry pts in Brillouin zone J. K. Balamurugan
2011/09/16 [Wien] FGL total force Yundi Quan
2011/09/16 [Wien] FGL total force Laurence Marks
2011/09/16 [Wien] FGL total force Stefaan Cottenier
2011/09/16 [Wien] FGL total force Yundi Quan
2011/09/16 [Wien] 4-D optimization Peter Blaha
2011/09/16 [Wien] 4-D optimization Viktor Zano
2011/09/16 [Wien] 4-D optimization Peter Blaha
2011/09/16 [Wien] 4-D optimization Viktor Zano
2011/09/15 [Wien] parallel compuation Peter Blaha
2011/09/15 [Wien] Symmetry pts in Brillouin zone Peter Blaha
2011/09/15 [Wien] Symmetry pts in Brillouin zone J. K. Balamurugan
2011/09/15 [Wien] parallel compuation Yundi Quan
2011/09/15 [Wien] Problem in Elast output-reg. jaya anand
2011/09/15 [Wien] Symmetry pts in Brillouin zone Peter Blaha
2011/09/14 [Wien] Ploting DOS Stefaan Cottenier
2011/09/14 [Wien] Ploting DOS Dr Qiwen YAO
2011/09/14 [Wien] Symmetry pts in Brillouin zone J. K. Balamurugan
2011/09/14 [Wien] aim input Yundi Quan
2011/09/14 [Wien] REG: including 4f state in calculation Stefaan Cottenier
2011/09/13 [Wien] REG: including 4f state in calculation bobli rekharam
2011/09/13 [Wien] ERROR: negative position in rstruc. Please report Ghosh SUDDHASATTWA
2011/09/13 [Wien] ERROR: negative position in rstruc. Please report Peter Blaha
2011/09/13 [Wien] error when plotting spin density contours 3d Aboudi Hamouda
2011/09/12 [Wien] ERROR: negative position in rstruc. Please report Peter Blaha
2011/09/12 [Wien] ERROR: negative position in rstruc. Please report Ghosh SUDDHASATTWA
2011/09/12 [Wien] x xspec runtime error Gavin Abo
2011/09/12 [Wien] band structure Peter Blaha
2011/09/11 [Wien] orbital moment Stefaan Cottenier
2011/09/11 [Wien] orbital moment Gerhard Fecher
2011/09/11 [Wien] x xspec runtime error Gerhard Fecher
2011/09/11 [Wien] orbital moment tripurari sinha
2011/09/11 [Wien] partial DOS Peter Blaha
2011/09/11 [Wien] structure minimization Yundi Quan
2011/09/09 [Wien] partial DOS Yundi Quan
2011/09/09 [Wien] Error in DOS. MBJ(GGA) Jose Alfredo Camargo Martinez
2011/09/09 [Wien] x xspec runtime error Gavin Abo
2011/09/09 [Wien] x xspec runtime error Gerhard Fecher
2011/09/08 [Wien] charge disproportionation Yundi Quan
2011/09/08 [Wien] Input of structure of random alloy in Wien2k Gregory Pomrehn
2011/09/08 [Wien] x xspec runtime error Gavin Abo
2011/09/08 [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k) Maurits W. Haverkort
2011/09/08 [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k) Laurence Marks
2011/09/08 [Wien] band structure Lukasz Plucinski
2011/09/08 [Wien] BoltzTraP - case.intrans Malgorzata Bukala
2011/09/08 [Wien] issue with doing structure minimization on MacPro workstation Gilles Hug
2011/09/08 [Wien] FS of a slab Artamonov Oleg
2011/09/08 [Wien] issue with doing structure minimization on MacPro workstation Gerhard Fecher
2011/09/08 [Wien] Input of structure of random alloy in Wien2k Yundi Quan
2011/09/08 [Wien] x xspec runtime error Gerhard Fecher
2011/09/08 [Wien] issue with doing structure minimization on MacPro workstation Gilles Hug
2011/09/08 [Wien] Input of structure of random alloy in Wien2k Ghosh SUDDHASATTWA
2011/09/07 [Wien] valency Peter Blaha
2011/09/07 [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k) Ghosh SUDDHASATTWA
2011/09/07 [Wien] valency Yundi Quan
2011/09/07 [Wien] issue with doing structure minimization on MacPro workstation Robert C. Albers
2011/09/07 [Wien] issue with doing structure minimization on MacPro workstation Laurence Marks
2011/09/07 [Wien] issue with doing structure minimization on MacPro workstation Jian-Xin Zhu
2011/09/07 [Wien] Parallel Options Laurence Marks
2011/09/07 [Wien] EFERMI OUT OF ENERGY RANGE Laurence Marks
2011/09/07 [Wien] x xspec runtime error Laurence Marks
2011/09/07 [Wien] FW: error in lapw1 AJAY SINGH VERMA
2011/09/07 [Wien] x xspec runtime error Gavin Abo
2011/09/07 [Wien] indmc Yundi Quan
2011/09/07 [Wien] indmc t...@theochem.tuwien.ac.at
2011/09/07 [Wien] x xspec runtime error Peter Blaha
2011/09/06 [Wien] Parallel Options Ghosh SUDDHASATTWA
2011/09/06 [Wien] x xspec runtime error Gavin Abo
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Jinjan Ren
2011/09/06 [Wien] EF not accurate, new emin,emax,NE-min,NE-max Aboudi Hamouda
2011/09/06 [Wien] array FJ lower bound error with ifort 12 Gavin Abo
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Jinjan Ren
2011/09/06 [Wien] how I can overcome this warning Peter Blaha
2011/09/06 [Wien] array FJ lower bound error with ifort 12 Peter Blaha
2011/09/06 [Wien] array FJ lower bound error with ifort 12 Gavin Abo
2011/09/06 [Wien] how I can overcome this warning Aboudi Hamouda
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Laurence Marks
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Laurence Marks
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Jinjan Ren
2011/09/06 [Wien] thebest rkmax Stefaan Cottenier
2011/09/06 [Wien] thebest rkmax bs bs
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Laurence Marks
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Jinjan Ren
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Laurence Marks
2011/09/06 [Wien] error in lapw1 AJAY SINGH VERMA
2011/09/06 [Wien] FS of a slab Peter Blaha
2011/09/06 [Wien] EFERMI OUT OF ENERGY RANGE Jinjan Ren
2011/09/05 [Wien] Supercell calculation is not converging shamik chakrabarti
2011/09/05 [Wien] Supercell calculation is not converging Laurence Marks
2011/09/05 [Wien] FS of a slab Artamonov Oleg
2011/09/05 [Wien] Supercell calculation is not converging shamik chakrabarti
2011/09/05 [Wien] Supercell calculation is not converging Laurence Marks
2011/09/05 [Wien] EFERMI OUT OF ENERGY RANGE Jinjan Ren
2011/09/05 [Wien] EFERMI OUT OF ENERGY RANGE Laurence Marks
2011/09/05 [Wien] EFERMI OUT OF ENERGY RANGE Peter Blaha
2011/09/05 [Wien] Some questions about SPIxxx t...@theochem.tuwien.ac.at
2011/09/05 [Wien] EFERMI OUT OF ENERGY RANGE Jinjan Ren
2011/09/05 [Wien] EFERMI OUT OF ENERGY RANGE Gerhard Fecher
2011/09/05 [Wien] Supercell calculation is not converging shamik chakrabarti
2011/09/05 [Wien] EFERMI OUT OF ENERGY RANGE Jinjan Ren
2011/09/04 [Wien] Reg:band structure with spin orbit coupling Peter Blaha
2011/09/04 [Wien] [SPAM?] Some questions about SPIxxx butz1004
2011/09/02 [Wien] Reg:band structure with spin orbit coupling bobli rekharam
2011/09/02 [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files Peter Blaha
2011/09/02 [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files Jinjan Ren
2011/09/02 [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files Jinjan Ren
2011/09/02 [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files Peter Blaha
2011/09/02 [Wien] calculate ionic charge Peter Blaha
2011/09/02 [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files Jinjan Ren
2011/09/01 [Wien] phonon calculation Ghosh SUDDHASATTWA
2011/09/01 [Wien] phonon calculation Yundi Quan
2011/09/01 [Wien] phonon calculation Laurence Marks
2011/09/01 [Wien] phonon calculation Yundi Quan
2011/09/01 [Wien] calculate ionic charge pu...@iitk.ac.in
2011/08/31 [Wien] "x optic -p" error Tomohiko Tasaka
2011/08/31 [Wien] Fwd: "x optic -p" error Rodrigo Domínguez García
2011/08/31 [Wien] "x optic -p" error Rodrigo Domínguez García
2011/07/30 [Wien] error "setrlimit(): Invalid argument" Dr Qiwen YAO
2011/07/29 [Wien] error "setrlimit(): Invalid argument" Laurence Marks
2011/07/29 [Wien] error "setrlimit(): Invalid argument" Dr Qiwen YAO
2011/07/29 [Wien] error "setrlimit(): Invalid argument" Laurence Marks
2011/07/29 [Wien] error "setrlimit(): Invalid argument" Dr Qiwen YAO
2011/07/29 [Wien] commenting out the line "ulimit -s unlimit" from .bashrc? Dr Qiwen YAO
2011/07/29 [Wien] commenting out the line "ulimit -s unlimit" from .bashrc? Laurence Marks
2011/07/29 [Wien] commenting out the line "ulimit -s unlimit" from .bashrc? Dr Qiwen YAO
2011/07/29 [Wien] Reg: orbital magnetic moment Md. Fhokrul Islam
2011/07/29 [Wien] Reg: orbital magnetic moment pieper
2011/07/29 [Wien] problem on electronic structure in slab Aaron
2011/07/29 [Wien] Reg: orbital magnetic moment bobli rekharam
2011/07/28 [Wien] Initialization error santu baidya
2011/07/28 [Wien] Error: 'LOPW plane waves exhausted' Laurence Marks
2011/07/28 [Wien] Error: 'LOPW plane waves exhausted' pascal boulet
2011/07/28 [Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error Laurence Marks
2011/07/28 [Wien] Error: 'LOPW plane waves exhausted' Laurence Marks