July 2011 Archives by author

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Starting: Sat Jul 2 12:40:45 CEST 2011
Ending: Sat Jul 30 10:18:27 CEST 2011
Messages: 145

• [Wien] problem on electronic structure in slab   Aaron
• [Wien] Treating d and f states of Eu using SIC   Muhammad Alay-e-Abbas
• [Wien] what are power ful configurations for doing calculation   Peter Blaha
• [Wien] x symmetry   Peter Blaha
• [Wien] Charge Convergence is not achieved   Peter Blaha
• [Wien] Would like to have some guidance from you   Peter Blaha
• [Wien] Would like to have some guidance from you   Peter Blaha
• [Wien] compile time error during installation of wien2k 11 with the latest compilers   Peter Blaha
• [Wien] Charge Convergence is not achieved   Peter Blaha
• [Wien] Charge Convergence is not achieved   Peter Blaha
• [Wien] PhD colleges at TU Vienna   Peter Blaha
• [Wien] Density matrix and QTL   Peter Blaha
• [Wien] Interpretation of an mBJ output   Peter Blaha
• [Wien] BoltzTraP   Malgorzata Bukala
• [Wien] BoltzTraP   Malgorzata Bukala
• [Wien] Deeper DFT question   Florent Calvayrac
• [Wien] Charge Convergence is not achieved   Shamik Chakrabarti
• [Wien] how to find Stoner parameter using wien2k   Shamik Chakrabarti
• [Wien] Charge Convergence is not achieved   Shamik Chakrabarti
• [Wien] compile time error during installation of wien2k 11 with the latest compilers   Shamik Chakrabarti
• [Wien] how to find Stoner parameter using wien2k   Shamik Chakrabarti
• [Wien] Supercell calculation   Stefaan Cottenier
• [Wien] Supercell calculation   Stefaan Cottenier
• [Wien] 'NN' - overlapping spheres during the volume optimization   Stefaan Cottenier
• [Wien] 'NN' - overlapping spheres during the volume optimization   Stefaan Cottenier
• [Wien] structural minimization in a non-spinpolarized setting with a further spinpolarized calculations   Stefaan Cottenier
• [Wien] Ferrimagnetic calculation   Stefaan Cottenier
• [Wien] Volume Optimization error   Stefaan Cottenier
• [Wien] case.klist_band   Chinedu Ekuma
• [Wien] case.klist_band   Chinedu Ekuma
• [Wien] Problem Plotting Bandstructure   Chinedu Ekuma
• [Wien] Stoner Parameter from calculation done by wien2k   Gerhard Fecher
• [Wien] Deeper DFT question   Gerhard Fecher
• [Wien] OMP_NUM_THREADS   Gerhard Fecher
• [Wien] OMP_NUM_THREADS   Gerhard Fecher
• [Wien] how to find Stoner parameter using wien2k   Seyed Javad Hashemifar
• [Wien] Reg: orbital magnetic moment   Md. Fhokrul Islam
• [Wien] Invitation to connect on LinkedIn   Shekoufe Khosravi
• [Wien] LaCo03 and Exact-exchange and Hybrid functionals for correlated electrons; and so problem   Dan Maftei
• [Wien] Slab calculation for FeS2   Laurence Marks
• [Wien] Charge Convergence is not achieved   Laurence Marks
• [Wien] Charge Convergence is not achieved   Laurence Marks
• [Wien] Charge Convergence is not achieved   Laurence Marks
• [Wien] error showing : libmkl_intel_lp64.so: cannot open shared object file   Laurence Marks
• [Wien] error showing : libmkl_intel_lp64.so: cannot open shared object file   Laurence Marks
• [Wien] error showing : libmkl_intel_lp64.so: cannot open shared object file   Laurence Marks
• [Wien] error showing : libmkl_intel_lp64.so: cannot open shared object file   Laurence Marks
• [Wien] Request   Laurence Marks
• [Wien] Request   Laurence Marks
• [Wien] Stress   Laurence Marks
• [Wien] Stress   Laurence Marks
• [Wien] Deeper DFT question   Laurence Marks
• [Wien] Fwd: Stress   Laurence Marks
• [Wien] Forces using Tetra   Laurence Marks
• [Wien] Forces using Tetra   Laurence Marks
• [Wien] X-ray diffraction pattern   Laurence Marks
• [Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error   Laurence Marks
• [Wien] Error: 'LOPW plane waves exhausted'   Laurence Marks
• [Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error   Laurence Marks
• [Wien] Error: 'LOPW plane waves exhausted'   Laurence Marks
• [Wien] commenting out the line "ulimit -s unlimit" from .bashrc?   Laurence Marks
• [Wien] error "setrlimit(): Invalid argument"   Laurence Marks
• [Wien] error "setrlimit(): Invalid argument"   Laurence Marks
• [Wien] band structure of Bi2Te3   Min Wook OH
• [Wien] BoltzTraP   Gregory Pomrehn
• [Wien] Question concerning dielectric tensor   Sebastian Putz
• [Wien] elastic constants calculaions for hexagonal structure   Pooja Rana
• [Wien] Why dielectric function differs by 1 ?   Rocquefelte
• [Wien] BFS Theory (Bozzolo-Ferrante-Smith) for Alloys and Wien2k   Ghosh SUDDHASATTWA
• [Wien] R0 for atom 1 Z=92.00 too big ....(New Version of Wien2k) Old Version works   Ghosh SUDDHASATTWA
• [Wien] FW: R0 for atom 1 Z=92.00 too big ....(New Version of Wien2k)Old Version works   Ghosh SUDDHASATTWA
• [Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error   Ghosh SUDDHASATTWA
• [Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error   Ghosh SUDDHASATTWA
• [Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error   Ghosh SUDDHASATTWA
• [Wien] local axis of PDOS   Bin Shao
• [Wien] 'NN' - overlapping spheres during the volume optimization   Volodymyr Svitlyk
• [Wien] 'NN' - overlapping spheres during the volume optimization   Volodymyr Svitlyk
• [Wien] structural minimization in a non-spinpolarized setting with a further spinpolarized calculations   Volodymyr Svitlyk
• [Wien] Invitation to my XING network   Dr. Ram Kumar Thapa
• [Wien] how to find Stoner parameter using wien2k   David Tompsett
• [Wien] Density matrix and QTL   David Tompsett
• [Wien] Treating d and f states of Eu using SIC   David Tompsett
• [Wien] Power outage while doing the caculation   David Tompsett
• [Wien] Stress   David Tompsett
• [Wien] Forces using Tetra   David Tompsett
• [Wien] Forces using Tetra   David Tompsett
• [Wien] error during lapw1 compilation using gfortran   Ivas Toni
• [Wien] LaCo03 and Exact-exchange and Hybrid functionals for correlated electrons; and so problem   Dima Vingurt
• [Wien] answer to write_win mistake   Philipp Wissgott
• [Wien] Would like to have some guidance from you   Dr Qi Wen YAO
• [Wien] Would like to have some guidance from you   Dr Qi Wen YAO
• [Wien] Power outage while doing the caculation   Dr Qi Wen YAO
• [Wien] OMP_NUM_THREADS   Dr Qiwen YAO
• [Wien] OMP_NUM_THREADS   Dr Qiwen YAO
• [Wien] OMP_NUM_THREADS   Dr Qiwen YAO
• [Wien] commenting out the line "ulimit -s unlimit" from .bashrc?   Dr Qiwen YAO
• [Wien] commenting out the line "ulimit -s unlimit" from .bashrc?   Dr Qiwen YAO
• [Wien] error "setrlimit(): Invalid argument"   Dr Qiwen YAO
• [Wien] error "setrlimit(): Invalid argument"   Dr Qiwen YAO
• [Wien] error "setrlimit(): Invalid argument"   Dr Qiwen YAO
• [Wien] Volume Optimization error   Muhammad Yaseen
• [Wien] Volume Optimization error   Muhammad Yaseen
• [Wien] Interpretation of an mBJ output   Osama Yassin
• [Wien] mbj calculation   ahmed amine
• [Wien] Initialization error   santu baidya
• [Wien] Error: 'LOPW plane waves exhausted'   pascal boulet
• [Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error   pascal boulet
• [Wien] Error: 'LOPW plane waves exhausted'   pascal boulet
• [Wien] HOW do I calculate band gap   bs bs
• [Wien] compile time error during installation of wien2k 11 with the latest compilers   shamik chakrabarti
• [Wien] Charge Convergence is not achieved   shamik chakrabarti
• [Wien] Charge Convergence is not achieved   shamik chakrabarti
• [Wien] Stoner Parameter from calculation done by wien2k   shamik chakrabarti
• [Wien] Stoner Parameter from calculation done by wien2k   shamik chakrabarti
• [Wien] error showing : libmkl_intel_lp64.so: cannot open shared object file   shamik chakrabarti
• [Wien] error showing : libmkl_intel_lp64.so: cannot open shared object file   shamik chakrabarti
• [Wien] error showing : libmkl_intel_lp64.so: cannot open shared object file   shamik chakrabarti
• [Wien] Ferrimagnetic calculation   shamik chakrabarti
• [Wien] Ferrimagnetic calculation   shamik chakrabarti
• [Wien] Slab calculation for FeS2   alpa dashora
• [Wien] Why dielectric function differs by 1 ?   gbliu
• [Wien] Questions about dielectric function of CNT.   gbliu
• [Wien] Supercell calculation   puday at iitk.ac.in
• [Wien] Supercell calculation   puday at iitk.ac.in
• [Wien] X-ray diffraction pattern   puday at iitk.ac.in
• [Wien] (no subject)   morteza jamal
• [Wien] vacuum states in graphene slab calculations   katrusiat
• [Wien] Request   imad khan
• [Wien] How to include d and f-states in calculation ??   yedu kondalu
• [Wien] [wien]Help for the compilation of the wien2k_11 using ifort 2011. Urgent!   yu li
• [Wien] Linearization energy   ghulam murtaza
• [Wien] what are power ful configurations for doing calculation   physics phys
• [Wien] HOW do I calculate band gap   sjalali at phys.ui.ac.ir
• [Wien] Reg: orbital magnetic moment   pieper
• [Wien] band structure of Bi2Te3   hossien rahnama
• [Wien] Reg: orbital magnetic moment   bobli rekharam
• [Wien] Mechanical and Electron momentum density   pankaj srivastava
• [Wien] How to include d and f-states in calculation ??   tran at theochem.tuwien.ac.at
• [Wien] Stress   tran at theochem.tuwien.ac.at
• [Wien] mbj calculation   tran at theochem.tuwien.ac.at
• [Wien] Electron density plots   vandao at urisan.tche.br
• [Wien] error during lapw1 compilation using gfortran   Леон Авакян
• [Wien] error during lapw1 compilation using gfortran (Ivas Toni)   Леон Авакян
• [Wien] A strange problem happened in coordinate optimiaztion   王家奎
• [Wien] write_win mistake   葛志启

Last message date: Sat Jul 30 10:18:27 CEST 2011
Archived on: Sat Jul 30 10:18:41 CEST 2011

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