2013 Archives by author

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Starting: Thu Jan 3 09:29:20 CET 2013
Ending: Tue Dec 31 13:48:07 CET 2013
Messages: 310

• [DFTB-Plus-User] DFTB+ compilation error   SK Mahasin Alam (Dr)
• [DFTB-Plus-User] DFTB+ compilation error   SK Mahasin Alam (Dr)
• [DFTB-Plus-User] Failure in diagonalisation routine zhegvd, non-positive definite overlap! Minor 302 responsible   Mahdi Abedini
• [DFTB-Plus-User] LUMO   Bálint Aradi
• [DFTB-Plus-User] Dispersion   Bálint Aradi
• [DFTB-Plus-User] Fermi Filling   Bálint Aradi
• [DFTB-Plus-User] R: Re: geometric optimization   Bálint Aradi
• [DFTB-Plus-User] problem in calculating DOS   Bálint Aradi
• [DFTB-Plus-User] charges in MD runs   Bálint Aradi
• [DFTB-Plus-User] error while compiling dftb+   Bálint Aradi
• [DFTB-Plus-User] graphene melting   Bálint Aradi
• [DFTB-Plus-User] Bugfix version for DFTB+NEGF available   Bálint Aradi
• [DFTB-Plus-User] Quadrupole moment   Bálint Aradi
• [DFTB-Plus-User] DFTB+NEGF, SIGSEGV: Segmentation fault   Bálint Aradi
• [DFTB-Plus-User] Vibrational frequency calculation on DFTB+, how is it?   Bálint Aradi
• [DFTB-Plus-User] DFTB+ compiling problem   Bálint Aradi
• [DFTB-Plus-User] electrostatic potential   Bálint Aradi
• [DFTB-Plus-User] electrostatic potential   Bálint Aradi
• [DFTB-Plus-User] Fails to Execute dftb+(1.2.2) with G95(G95 BINARY; Linux x86-64 [64 bit DI]) compiler.   Bálint Aradi
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 61, Issue 7 for electrostatic potential   Bálint Aradi
• [DFTB-Plus-User] Fails to Execute dftb+(1.2.2) with G95(G95 BINARY; Linux x86-64 [64 bit DI]) compiler.   Bálint Aradi
• [DFTB-Plus-User] How to add point charges   Bálint Aradi
• [DFTB-Plus-User] How to add point charges   Bálint Aradi
• [DFTB-Plus-User] How to go on the terminated task   Bálint Aradi
• [DFTB-Plus-User] How to run MD simulations in parallel using many cores   Bálint Aradi
• [DFTB-Plus-User] What is SCC error?   Bálint Aradi
• [DFTB-Plus-User] vary the number of valence electrons per atom   Bálint Aradi
• [DFTB-Plus-User] modes Calculations with DFTB+   Bálint Aradi
• [DFTB-Plus-User] Compilation Problem   Bálint Aradi
• [DFTB-Plus-User] Frequency intensity calculations   Bálint Aradi
• [DFTB-Plus-User] apply force on my model   Bálint Aradi
• [DFTB-Plus-User] apply force on my model   Bálint Aradi
• [DFTB-Plus-User] Can you transform the gold parameter file from hOTBIT version to DFTB+ for me?   Bálint Aradi
• [DFTB-Plus-User] how to get the potential of every atom in the system   Bálint Aradi
• [DFTB-Plus-User] How to read the S-K.file   Bálint Aradi
• [DFTB-Plus-User] Ionic relaxation   Bálint Aradi
• [DFTB-Plus-User] information regarding GW within DFTB+   Bálint Aradi
• [DFTB-Plus-User] Ionic relaxation   Bálint Aradi
• [DFTB-Plus-User] information regarding GW within DFTB+   Bálint Aradi
• [DFTB-Plus-User] Charge specification and units   Bálint Aradi
• [DFTB-Plus-User] How to get the detailed information for every step in detailed.out   Bálint Aradi
• [DFTB-Plus-User] How to get the each 1-shell (s, p, d, etc) for every step   Bálint Aradi
• [DFTB-Plus-User] Some question about import Slater-Koster library into Materials Studio 6.0   Bálint Aradi
• [DFTB-Plus-User] Using DTFB with transition metal oxides   Bálint Aradi
• [DFTB-Plus-User] Bug fix of dispersion correction for periodic systems in release 1.2   Bálint Aradi
• [DFTB-Plus-User] point charges   Bálint Aradi
• [DFTB-Plus-User] point charges   Bálint Aradi
• [DFTB-Plus-User] point charges   Bálint Aradi
• [DFTB-Plus-User] Is the MPI parallel version dftb+ available now   Bálint Aradi
• [DFTB-Plus-User] DFTB-MD with surfaces and amorphous materials   Bálint Aradi
• [DFTB-Plus-User] MPI version   Bálint Aradi
• [DFTB-Plus-User] Relativistic Pb parametrization   Bálint Aradi
• [DFTB-Plus-User] External field strength units   Bálint Aradi
• [DFTB-Plus-User] DFTB+ compilation error   Bálint Aradi
• [DFTB-Plus-User] DFTB+ compilation error   Bálint Aradi
• [DFTB-Plus-User] Si parameters for transport calculations   Bálint Aradi
• [DFTB-Plus-User] MPI Version crashes   Bálint Aradi
• [DFTB-Plus-User] Fix for the MPI development snapshot   Bálint Aradi
• [DFTB-Plus-User] MPI Version crashes   Bálint Aradi
• [DFTB-Plus-User] MPI Version crashes   Bálint Aradi
• [DFTB-Plus-User] Update MPI-branch   Bálint Aradi
• [DFTB-Plus-User] Wurtzite ZnO surface structure relaxtion problem   Bálint Aradi
• [DFTB-Plus-User] MPI Version crashes   Bálint Aradi
• [DFTB-Plus-User] analytical second derivative   Bálint Aradi
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 69, Issue 2   Bálint Aradi
• [DFTB-Plus-User] Problem in Solving (111) Au electrodes using DFTB+   Bálint Aradi
• [DFTB-Plus-User] relaxation of SiNW   Bálint Aradi
• [DFTB-Plus-User] Relaxation of SiNW   Bálint Aradi
• [DFTB-Plus-User] Cohesive Energy   Bálint Aradi
• [DFTB-Plus-User] QUASINANO parameter set   Bálint Aradi
• [DFTB-Plus-User] Relaxation of SiNW   Bálint Aradi
• [DFTB-Plus-User] PDOS   Bálint Aradi
• [DFTB-Plus-User] Run DFTB+ job   Bálint Aradi
• [DFTB-Plus-User] MD runs terminate without warning   Bálint Aradi
• [DFTB-Plus-User] Slater-Koster files for SiO2   Bálint Aradi
• [DFTB-Plus-User] Slater-Koster files for SiO2   Bálint Aradi
• [DFTB-Plus-User] Spin constants for fluorine and cobalt   Bálint Aradi
• [DFTB-Plus-User] Au-C Slater-Koster files   Bálint Aradi
• [DFTB-Plus-User] waveplot-no cube file procuce   Bálint Aradi
• [DFTB-Plus-User] waveplot-no cube file produce   Bálint Aradi
• [DFTB-Plus-User] Test   Bálint Aradi
• [DFTB-Plus-User] surface slab calculation don't converge   Bálint Aradi
• [DFTB-Plus-User] How to get HOMO and LUMO in waveplot?   Bálint Aradi
• [DFTB-Plus-User] Failure in diagonalisation routine zhegvd   Bálint Aradi
• [DFTB-Plus-User] Failure in diagonalisation routine zhegvd   Bálint Aradi
• [DFTB-Plus-User] MPI Version crashes   Bálint Aradi
• [DFTB-Plus-User] MPI Version crashes   Bálint Aradi
• [DFTB-Plus-User] Change Output Frequency for MD Simulations   Bálint Aradi
• [DFTB-Plus-User] Band Structure - carbon nanotube   Bálint Aradi
• [DFTB-Plus-User] MPI Version crashes   Silvio a Beccara
• [DFTB-Plus-User] MPI Version crashes   Silvio a Beccara
• [DFTB-Plus-User] MPI Version crashes   Silvio a Beccara
• [DFTB-Plus-User] MPI Version crashes   Silvio a Beccara
• [DFTB-Plus-User] MPI Version crashes   Silvio a Beccara
• [DFTB-Plus-User] MPI Version crashes   Silvio a Beccara
• [DFTB-Plus-User] MPI Version crashes   Silvio a Beccara
• [DFTB-Plus-User] problem in calculating DOS   Bhatt, Mahesh
• [DFTB-Plus-User] Quadrupole moment   Bhatt, Mahesh
• [DFTB-Plus-User] Quadrupole moment   Bhatt, Mahesh
• [DFTB-Plus-User] Quadrupole moment   Bhatt, Mahesh
• [DFTB-Plus-User] electrostatic potential   Bhatt, Mahesh
• [DFTB-Plus-User] How to add point charges   Bhatt, Mahesh
• [DFTB-Plus-User] How to add point charges   Bhatt, Mahesh
• [DFTB-Plus-User] How to add point charges   Bhatt, Mahesh
• [DFTB-Plus-User] Ionic relaxation   Bhatt, Mahesh
• [DFTB-Plus-User] Regarding PDOS Calculations   Bhatt, Mahesh
• [DFTB-Plus-User] Regarding PDOS Calculations   Bhatt, Mahesh
• [DFTB-Plus-User] Regarding PDOS Calculations   Bhatt, Mahesh
• [DFTB-Plus-User] Regarding PDOS Calculations   Bhatt, Mahesh
• [DFTB-Plus-User] point charges   Bhatt, Mahesh
• [DFTB-Plus-User] point charges   Bhatt, Mahesh
• [DFTB-Plus-User] point charges   Bhatt, Mahesh
• [DFTB-Plus-User] point charges   Bhatt, Mahesh
• [DFTB-Plus-User] point charges   Bhatt, Mahesh
• [DFTB-Plus-User] point charges   Bhatt, Mahesh
• [DFTB-Plus-User] point charges   Bhatt, Mahesh
• [DFTB-Plus-User] citation   Bhatt, Mahesh
• [DFTB-Plus-User] Relativistic Pb parametrization   Andrei Buin
• [DFTB-Plus-User] eigenvec.out   Mani Farjam
• [DFTB-Plus-User] PDOS   Mani Farjam
• [DFTB-Plus-User] nudged elastic band method   Krishna Mohan G.P.
• [DFTB-Plus-User] Input deck for radical - molecule complex   Ol Ga
• [DFTB-Plus-User] optical conductivities   Goldman, Nir
• [DFTB-Plus-User] DFTB-MD with surfaces and amorphous materials   Vanessa Gruner
• [DFTB-Plus-User] MD runs terminate without warning   Vanessa Gruner
• [DFTB-Plus-User] good evening   Ha, Tran Van
• [DFTB-Plus-User] DFTB+NEGF, SIGSEGV: Segmentation fault   Yuranan Hanlumyuang
• [DFTB-Plus-User] DFTB+NEGF with a gate contact   Yuranan Hanlumyuang
• [DFTB-Plus-User] DFTB+NEGF: Net accumulated charge and supercell calculations   Yuranan Hanlumyuang
• [DFTB-Plus-User] DFTB+NEGF: the Oxide radius   Yuranan Hanlumyuang
• [DFTB-Plus-User] DFTB+NEGF: the Oxide radius   Yuranan Hanlumyuang
• [DFTB-Plus-User] DFTB+NEGF: the Oxide radius   Yuranan Hanlumyuang
• [DFTB-Plus-User] 'Failure in dsygvd routine' error during relaxation   Vinay Hegde
• [DFTB-Plus-User] "Failure in diagonalisation routine dsygvd.." error   Vinay Hegde
• [DFTB-Plus-User] "Failure in diagonalisation routine dsygvd.." error   Vinay Hegde
• [DFTB-Plus-User] QUASINANO parameter set   Abraham Hmiel
• [DFTB-Plus-User] KeepStationary   Ben Hourahine
• [DFTB-Plus-User] Help on melting quartz to obtain amorphous silica   Ben Hourahine
• [DFTB-Plus-User] Unit of forces in DFTB+   Ben Hourahine
• [DFTB-Plus-User] External field strength units   Ben Hourahine
• [DFTB-Plus-User] final magnetic moment for each atom in the system   Benjamin Hourahine
• [DFTB-Plus-User] Geometry optimization of 2D crystals   Benjamin Hourahine
• [DFTB-Plus-User] analytical second derivative   Benjamin Hourahine
• [DFTB-Plus-User] eigenvec.out   Benjamin Hourahine
• [DFTB-Plus-User] waveplot Bus error   Jacek Jakowski
• [DFTB-Plus-User] Quadrupole moment   Jacek Jakowski
• [DFTB-Plus-User] Compilation Problem   Jacek Jakowski
• [DFTB-Plus-User] Si parameters for transport calculations   Chee Jiansheng Jansen
• [DFTB-Plus-User] information regarding GW within DFTB+   Manuel Pérez Jigato
• [DFTB-Plus-User] information regarding GW within DFTB+   Manuel Pérez Jigato
• [DFTB-Plus-User] information regarding GW within DFTB+   Manuel Pérez Jigato
• [DFTB-Plus-User] Failure in diagonalisation routine zhegvd   . Juita
• [DFTB-Plus-User] Failure in diagonalisation routine zhegvd   . Juita
• [DFTB-Plus-User] Failure in diagonalisation routine zhegvd   . Juita
• [DFTB-Plus-User] Failure in diagonalisation routine zhegvd   . Juita
• [DFTB-Plus-User] analytical second derivative   Jan Knaup
• [DFTB-Plus-User] 'Failure in dsygvd routine' error during relaxation   Jan M. Knaup
• [DFTB-Plus-User] graphene melting   Jan M. Knaup
• [DFTB-Plus-User] How to go on the terminated task   Jan M. Knaup
• [DFTB-Plus-User] vary the number of valence electrons per atom   Jan M. Knaup
• [DFTB-Plus-User] Regarding PDOS Calculations   Jan M. Knaup
• [DFTB-Plus-User] Regarding PDOS Calculations   Jan M. Knaup
• [DFTB-Plus-User] Regarding PDOS Calculations   Jan M. Knaup
• [DFTB-Plus-User] Help on melting quartz to obtain amorphous silica   Jan M. Knaup
• [DFTB-Plus-User] Help on melting quartz to obtain amorphous silica   Jan M. Knaup
• [DFTB-Plus-User] point charges   Jan M. Knaup
• [DFTB-Plus-User] "Failure in diagonalisation routine dsygvd.." error   Jan M. Knaup
• [DFTB-Plus-User] Bug fix of dispersion correction for periodic systems in release 1.2   Christoph Lechner
• [DFTB-Plus-User] Bug fix of dispersion correction for periodic systems in release 1.2   Christoph Lechner
• [DFTB-Plus-User] Is the MPI parallel version dftb+ available now   Mingtao Li
• [DFTB-Plus-User] DFTB+ compilation error   Mingtao Li
• [DFTB-Plus-User] Wurtzite ZnO surface structure relaxtion problem   LuShaohua
• [DFTB-Plus-User] geometric optimization   ahmed Mahmoud
• [DFTB-Plus-User] R: Re: geometric optimization   ahmed Mahmoud
• [DFTB-Plus-User] Multi-terminal device   ahmed Mahmoud
• [DFTB-Plus-User] Vibrational frequency calculation on DFTB+, how is it?   Sol Milena Mejia
• [DFTB-Plus-User] apply force on my model   Niu, Jianbing
• [DFTB-Plus-User] apply force on my model   Niu, Jianbing
• [DFTB-Plus-User] (no subject)   Niu, Jianbing
• [DFTB-Plus-User] Change Output Frequency for MD Simulations   Jonathan R. Owens
• [DFTB-Plus-User] R: Re: geometric optimization   Alessandro Pecchia
• [DFTB-Plus-User] R: R: Re: geometric optimization   Alessandro Pecchia
• [DFTB-Plus-User] R: Multi-terminal device   Alessandro Pecchia
• [DFTB-Plus-User] R: Multi-terminal device   Alessandro Pecchia
• [DFTB-Plus-User] R: DFTB+NEGF with a gate contact   Alessandro Pecchia
• [DFTB-Plus-User] R: cylindrical gate set up   Alessandro Pecchia
• [DFTB-Plus-User] R: Fermi Energy   Alessandro Pecchia
• [DFTB-Plus-User] Transport calculation problem for defining the geometry   Gabriele Penazzi
• [DFTB-Plus-User] How to add point charges   Gabriele Penazzi
• [DFTB-Plus-User] DFTB+NEGF with a gate contact   Gabriele Penazzi
• [DFTB-Plus-User] DFTB+NEGF: Net accumulated charge and supercell calculations   Gabriele Penazzi
• [DFTB-Plus-User] DFTB+NEGF: the Oxide radius   Gabriele Penazzi
• [DFTB-Plus-User] DFTB+NEGF: the Oxide radius   Gabriele Penazzi
• [DFTB-Plus-User] A question about GatePotential   Gabriele Penazzi
• [DFTB-Plus-User] DFTB+NEGF: the Oxide radius   Gabriele Penazzi
• [DFTB-Plus-User] Fermi Energy   Gabriele Penazzi
• [DFTB-Plus-User] error while running SiNW example in the code   Gabriele Penazzi
• [DFTB-Plus-User] transitional vectors for SiNW   Gabriele Penazzi
• [DFTB-Plus-User] Problem in Solving (100) silicon electrodes using DFTB+   Gabriele Penazzi
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 69, Issue 3   Gabriele Penazzi
• [DFTB-Plus-User] Slater-Koster file for Si-B   Gabriele Penazzi
• [DFTB-Plus-User] Slater-Koster parameters of Si-B   Gabriele Penazzi
• [DFTB-Plus-User] how to use planar gate?   Gabriele Penazzi
• [DFTB-Plus-User] SCC error   Gabriele Penazzi
• [DFTB-Plus-User] current change due to adsorbing a molecule   Gabriele Penazzi
• [DFTB-Plus-User] Failure in diagonalisation routine zhegvd, non-positive definite overlap! Minor 302 responsible   Gabriele Penazzi
• [DFTB-Plus-User] Geometry optimization of 2D crystals   Riccardo Petraglia
• [DFTB-Plus-User] Geometry optimization of 2D crystals   Riccardo Petraglia
• [DFTB-Plus-User] transitional vectors for SiNW   Riccardo Petraglia
• [DFTB-Plus-User] Unit of forces in DFTB+   WU Qi
• [DFTB-Plus-User] reference for TotalChargeDifference   WU Qi
• [DFTB-Plus-User] charges in MD runs   Hu Shuanglin
• [DFTB-Plus-User] PhD & postdoc opportunity for DFTB+ users   Gemma Solomon
• [DFTB-Plus-User] Some question about import Slater-Koster library into Materials Studio 6.0   TanXin
• [DFTB-Plus-User] Cohesive Energy   Sascha Thinius
• [DFTB-Plus-User] Cohesive Energy   Sascha Thinius
• [DFTB-Plus-User] Cohesive Energy   Sascha Thinius
• [DFTB-Plus-User] surface slab calculation don't converge   Sascha Thinius
• [DFTB-Plus-User] Using DTFB with transition metal oxides   Tyson, Trevor A.
• [DFTB-Plus-User] KeepStationary   Linas Vilciauskas
• [DFTB-Plus-User] KeepStationary   Linas Vilciauskas
• [DFTB-Plus-User] postdoc position for developing new DFTB parametrization files   Bryan M. Wong
• [DFTB-Plus-User] Fe-Ni alloy skf files   Zhu Xi
• [DFTB-Plus-User] MPI Version crashes   Fu Xiao-Xiao
• [DFTB-Plus-User] electrostatic potential   Xiaobao
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 61, Issue 7 for electrostatic potential   Xiaobao
• [DFTB-Plus-User] vary the number of valence electrons per atom   Xiaobao
• [DFTB-Plus-User] DFTB-Plus-User Digest, " vary the number of valence electrons per atom"   Xiaobao
• [DFTB-Plus-User] cylindrical gate set up   Xiaobao
• [DFTB-Plus-User] cylindrical gate set up   Xiaobao
• [DFTB-Plus-User] A question about GatePotential   Xiaobao
• [DFTB-Plus-User] Fermi Energy   Xiaobao
• [DFTB-Plus-User] how to use planar gate?   Xiaobao
• [DFTB-Plus-User] help   Soujanya Y.
• [DFTB-Plus-User] modes Calculations with DFTB+   Hongxin Yang
• [DFTB-Plus-User] Frequency intensity calculations   Hongxin Yang
• [DFTB-Plus-User] nudged elastic band method   Hongxin Yang
• [DFTB-Plus-User] Can you transform the gold parameter file from hOTBIT version to DFTB+ for me?   Peter Yen
• [DFTB-Plus-User] External field strength units   Vladimir Yushkevich
• [DFTB-Plus-User] Run DFTB+ job   khorshed at cc.kogakuin.ac.jp
• [DFTB-Plus-User] final magnetic moment for each atom in the system   Robyn.Shi at csiro.au
• [DFTB-Plus-User] final magnetic moment for each atom in the system   Robyn.Shi at csiro.au
• [DFTB-Plus-User] limthongleng at gmail.com has indicated you're a friend. Accept?   limthongleng at gmail.com
• [DFTB-Plus-User] You still haven't accepted limthongleng at gmail.com's friend request. Accept?   limthongleng at gmail.com
• [DFTB-Plus-User] waveplot Bus error   gxaaas
• [DFTB-Plus-User] Compilation Problem   debs at iitk.ac.in
• [DFTB-Plus-User] Pt-Pt, Pt-P ans P-P SK-files   abdesslem jedidi
• [DFTB-Plus-User] Ionic relaxation   kousersummayya at jncasr.ac.in
• [DFTB-Plus-User] Ionic relaxation   kousersummayya at jncasr.ac.in
• [DFTB-Plus-User] How to go on the terminated task   jsxz
• [DFTB-Plus-User] How to go on the terminated task   jsxz
• [DFTB-Plus-User] How to run MD simulations in parallel using many cores   jsxz
• [DFTB-Plus-User] What is SCC error?   jsxz
• [DFTB-Plus-User] how to get the potential of every atom in the system   jsxz
• [DFTB-Plus-User] How to read the S-K.file   jsxz
• [DFTB-Plus-User] How to get the detailed information for every step in detailed.out   jsxz
• [DFTB-Plus-User] How to get the each 1-shell (s, p, d, etc) for every step   jsxz
• [DFTB-Plus-User] Spin constants for fluorine and cobalt   paupitz at rc.unesp.br
• [DFTB-Plus-User] Spin constants for fluorine and cobalt   paupitz at rc.unesp.br
• [DFTB-Plus-User] Band Structure - carbon nanotube   paupitz at rc.unesp.br
• [DFTB-Plus-User] Band Structure - carbon nanotube   paupitz at rc.unesp.br
• [DFTB-Plus-User] geometric optimization   ali sadeghi
• [DFTB-Plus-User] Quadrupole moment   ali sadeghi
• [DFTB-Plus-User] saddle point   ali sadeghi
• [DFTB-Plus-User] Transport calculation problem for defining the geometry   bedamani singh
• [DFTB-Plus-User] error while compiling dftb+   bedamani singh
• [DFTB-Plus-User] graphene melting   sandeep singh
• [DFTB-Plus-User] Charge specification and units   sn
• [DFTB-Plus-User] Electric field description   sn
• [DFTB-Plus-User] point charges   sn
• [DFTB-Plus-User] citation   sn
• [DFTB-Plus-User] Slater-Koster files for SiO2   sn
• [DFTB-Plus-User] error while running SiNW example in the code   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] transitional vectors for SiNW   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 69, Issue 2   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Problem in Solving (111) Au electrodes using DFTB+   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Problem in Solving (100) silicon electrodes using DFTB+   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Slater-Koster files for Si-B   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] relaxation of SiNW   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] DFTB-Plus-User Digest, Vol 69, Issue 3   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Slater-Koster file for Si-B   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Relaxation of SiNW   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Relaxation of SiNW   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Slater-Koster parameters of Si-B   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] p-type SiNW   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Relaxation of SiNW   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] SCC error   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] current change due to adsorbing a molecule   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Slater-Koster files for SiO2   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] Au-C Slater-Koster files   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] modeling SiNW FET   n.salami at srbiau.ac.ir
• [DFTB-Plus-User] problem with NEB calculation using DFTB+   malahmer at umbb.dz
• [DFTB-Plus-User] surface slab calculation don't converge   malahmer at umbb.dz
• [DFTB-Plus-User] surface slab calculation don't converge   malahmer at umbb.dz
• [DFTB-Plus-User] waveplot-no cube file procuce   孙萍萍
• [DFTB-Plus-User] waveplot-no cube file produce   孙萍萍
• [DFTB-Plus-User] How to get HOMO and LUMO in waveplot?   孙萍萍
• [DFTB-Plus-User] How to get charge density difference by DFTB.   孙萍萍
• [DFTB-Plus-User] Analytical second derivative   常盤広明
• [DFTB-Plus-User] analytical second derivative   常盤広明
• [DFTB-Plus-User] analytical second derivative   常盤広明
• [DFTB-Plus-User] analytical second derivative   常盤広明
• [DFTB-Plus-User] DFTB+ compiling problem   奥野 義人
• [DFTB-Plus-User] Fails to Execute dftb+(1.2.2) with G95(G95 BINARY; Linux x86-64 [64 bit DI]) compiler.   奥野 義人
• [DFTB-Plus-User] Fails to Execute dftb+(1.2.2) with G95(G95 BINARY; Linux x86-64 [64 bit DI]) compiler.   奥野 義人
• [DFTB-Plus-User] Fails to Execute dftb+(1.2.2) with G95(G95 BINARY; Linux x86-64 [64 bit DI]) compiler.   奥野 義人
• [DFTB-Plus-User] Help on melting quartz to obtain amorphous silica   苏锐
• [DFTB-Plus-User] Help on melting quartz to obtain amorphous silica   苏锐
• [DFTB-Plus-User] Help on melting quartz to obtain amorphous silica   苏锐
• [DFTB-Plus-User] Help on melting quartz to obtain amorphous silica   苏锐

Last message date: Tue Dec 31 13:48:07 CET 2013
Archived on: Tue Dec 31 13:48:22 CET 2013

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