siesta-l  

Índice temático

• Re: [SIESTA-L] SIESTA-L Strange dependence of transiesta convergence on number of processors Guangping Zhang
  • Re: [SIESTA-L] SIESTA-L Strange dependence of transiesta convergence on number of processors Guangping Zhang
• [SIESTA-L] diffusion coefficient Tomohiko Tasaka
• [SIESTA-L] smallest eigen value in .EIG file anjana paudyal
• Re: [SIESTA-L] about my TranSIESTA paper. anjana paudyal
  • Re: [SIESTA-L] about my TranSIESTA paper. Sushil Auluck
• [SIESTA-L] High Frequency simulation Ran
• [SIESTA-L] H+ in a crystal Pietro Bonfa'
• [SIESTA-L] Fwd: MINVEC error message Alberto
  • Re: [SIESTA-L] Fwd: MINVEC error message Artem Baskin
  • Re: [SIESTA-L] Fwd: MINVEC error message Alberto
  • Re: [SIESTA-L] Fwd: MINVEC error message Alberto
  • Re: [SIESTA-L] Fwd: MINVEC error message Artem Baskin
• [SIESTA-L] about spin polarized Transiesta calculations Deniz Cakir
• [SIESTA-L] Graphene(non-relaxed band calculation) Jason Seol
  • Re: [SIESTA-L] Graphene(non-relaxed band calculation) Yuting Li
  • RE: [SIESTA-L] Graphene(non-relaxed band calculation) Jason Seol
  • Re: [SIESTA-L] Graphene(non-relaxed band calculation) Roland Gillen
  • RE: [SIESTA-L] Graphene(non-relaxed band calculation) Jason Seol
• [SIESTA-L] Issue compiling Siesta with Intel MKL and MPI Roberto Veiga
• [SIESTA-L] Basis vectors linear dependence when calculating optical properties Artem Baskin
• [SIESTA-L] Question about optical properties Artem Baskin
• [SIESTA-L] Transiesta: NLine parameter David Egger
  • Re: [SIESTA-L] Transiesta: NLine parameter Guangping Zhang
  • Re: [SIESTA-L] Transiesta: NLine parameter David Egger
• [SIESTA-L] The geometry structure should be optimized before Transiesta calculation? aqingchen
• [SIESTA-L] Question on pseudopotential janakiraman balachandran
• [SIESTA-L] Problem Phonon calculation using Vibrator Carlo Motta
• [SIESTA-L] Band Gap of MnS Onur Kavci
  • Re: [SIESTA-L] Band Gap of MnS Peter Wang
  • Re: [SIESTA-L] Band Gap of MnS Onur Kavcı
  • Re: [SIESTA-L] Band Gap of MnS Peter Wang
  • Re: [SIESTA-L] Band Gap of MnS Zahra Talebi
• [SIESTA-L] Electrode K-point sampling grid Diana Otalvaro
• [SIESTA-L] BUG, MD-run and number of open files, DM.nc and DMHS.nc Nick Papior Andersen
• [SIESTA-L] Problem in MD John S. Tse
• [SIESTA-L] Strain on nanoribbon Clerisson Nascimento
  • Re: [SIESTA-L] Strain on nanoribbon Gomes Rocha
  • Re: [SIESTA-L] Strain on nanoribbon Clerisson Nascimento
• [SIESTA-L] Why does not anyone answer the question? majid fathiyan
  • Re: [SIESTA-L] Why does not anyone answer the question? Riccardo Rurali
  • Re: [SIESTA-L] Why does not anyone answer the question? majid fathiyan
  • Re: [SIESTA-L] Why does not anyone answer the question? Nicolas Leconte
  • Re: [SIESTA-L] Why does not anyone answer the question? Barraza-Lopez,Salvador
  • Re: [SIESTA-L] Why does not anyone answer the question? majid fathiyan
  • Re: [SIESTA-L] Why does not anyone answer the question? majid fathiyan
  • Re: [SIESTA-L] Why does not anyone answer the question? majid fathiyan
  • Re: [SIESTA-L] Why does not anyone answer the question? Nicolas Leconte
• [SIESTA-L] Transiesta: length of electrode unit cell David Egger
  • Re: [SIESTA-L] Transiesta: length of electrode unit cell Riccardo Rurali
  • Re: [SIESTA-L] Transiesta: length of electrode unit cell David Egger
  • RE: [SIESTA-L] Transiesta: length of electrode unit cell Yunpeng Wang
  • Re: RE: [SIESTA-L] Transiesta: length of electrode unit cell Guangping Zhang
  • Re: [SIESTA-L] Transiesta: length of electrode unit cell Riccardo Rurali
  • Re: Re: [SIESTA-L] Transiesta: length of electrode unit cell Guangping Zhang
  • Re: Re: [SIESTA-L] Transiesta: length of electrode unit cell Guangping Zhang
  • Re: [SIESTA-L] Transiesta: length of electrode unit cell Riccardo Rurali
  • Re: [SIESTA-L] Transiesta: length of electrode unit cell Riccardo Rurali
  • RE: [SIESTA-L] Transiesta: length of electrode unit cell Yunpeng Wang
  • Re: RE: [SIESTA-L] Transiesta: length of electrode unit cell Guangping Zhang
  • Re: RE: [SIESTA-L] Transiesta: length of electrode unit cell Guangping Zhang
  • Re: [SIESTA-L] Transiesta: length of electrode unit cell David Egger
  • Re: [SIESTA-L] Transiesta: length of electrode unit cell Gabriele Penazzi
  • Re: [SIESTA-L] Transiesta: length of electrode unit cell David Egger
• [SIESTA-L] Band structure and non-collinear-spin calculation isivkov
• [SIESTA-L] magnetic field majid fathiyan
  • [SIESTA-L] magnetic field majid fathiyan
• [SIESTA-L] interface with BoltzTrap Payam Norouzzadeh
  • Re: [SIESTA-L] interface with BoltzTrap Sushil Auluck
  • Re: [SIESTA-L] interface with BoltzTrap Payam Norouzzadeh
  • Re: [SIESTA-L] interface with BoltzTrap Sushil Auluck
  • Re: [SIESTA-L] interface with BoltzTrap Payam Norouzzadeh
  • [SIESTA-L] projected_bandstructure karim rezouali
• [SIESTA-L] siesta calculation roz _gh
  • [SIESTA-L] siesta calculation roz _gh
  • [SIESTA-L] plz helllllp???? roz _gh
• [SIESTA-L] Unit of rho2xsf file output Abbas Ebnonnasir
  • Re: [SIESTA-L] Unit of rho2xsf file output Scott Beckman
  • Re: [SIESTA-L] Unit of rho2xsf file output Abbas Ebnonnasir
  • Re: [SIESTA-L] Unit of rho2xsf file output Abbas Ebnonnasir
• [SIESTA-L] how to get the transmitted spectrum after optical calculation with SIESTA aqingchen
• [SIESTA-L] Compress system using SIESTA?? vaneeta bala
  • Re: [SIESTA-L] Compress system using SIESTA?? Michael Schuch
  • Re: [SIESTA-L] Compress system using SIESTA?? apostnik
  • Re: [SIESTA-L] Compress system using SIESTA?? vaneeta bala
• [SIESTA-L] Mixed-force MD Quan Phung
• [SIESTA-L] reference for "SimulateDoping" option Mehmet Topsakal
  • [SIESTA-L] reference for "SimulateDoping" option Mehmet Topsakal
• [SIESTA-L] Bader analysis Quan Phung
  • Re: [SIESTA-L] Bader analysis Oleksandr Voznyy
  • Re: [SIESTA-L] Bader analysis Quan Phung
  • Re: [SIESTA-L] Bader analysis Oleksandr Voznyy
  • Re: [SIESTA-L] Bader analysis Thomas Manz
  • Re: [SIESTA-L] Bader analysis Quan Phung
  • Re: [SIESTA-L] Bader analysis Pavel B. Sorokin
• [SIESTA-L] lattice constant optimization majid fathiyan
  • Re: [SIESTA-L] lattice constant optimization Herbert Fruchtl
  • Re: [SIESTA-L] lattice constant optimization nibras mossa
  • Re: [SIESTA-L] lattice constant optimization Dr. Mohan L. Verma
  • Fw: [SIESTA-L] lattice constant optimization roz _gh
  • [SIESTA-L] Structural relaxation and space group... Nguyen Doan Sau
  • Re: [SIESTA-L] Structural relaxation and space group... I. Camps
  • Fw: Fw: [SIESTA-L] lattice constant optimization roz _gh
  • Fw: Fw: [SIESTA-L] lattice constant optimization roz _gh
  • Re: [SIESTA-L] lattice constant optimization Sonu Kumar
• [SIESTA-L] Error while reading Z-matrix Triratna Muneshwar
  • Re: [SIESTA-L] Error while reading Z-matrix Triratna Muneshwar
• [SIESTA-L] optimize lattice constant majid fathiyan
  • Re: [SIESTA-L] optimize lattice constant Michael Schuch
  • Re: [SIESTA-L] optimize lattice constant Huiqun Zhou
  • RE: [SIESTA-L] optimize lattice constant Yunpeng Wang
  • Re: [SIESTA-L] optimize lattice constant Herbert Fruchtl
  • 回复： Re: [SIESTA-L] optimize lattice constant hqzhou
  • Re: [SIESTA-L] optimize lattice constant majid fathiyan
  • Re: [SIESTA-L] optimize lattice constant Gomes Rocha
• [SIESTA-L] how the solve such problem? aqingchen
  • Re: [SIESTA-L] how the solve such problem? R.C.Pasianot
  • Re: [SIESTA-L] how the solve such problem? Vinay Hegde
  • Re: [SIESTA-L] how the solve such problem? Sonu Kumar
• [SIESTA-L] can anyone provide the O, In and Sn pseudoptentials file? aqingchen
  • Re: [SIESTA-L] can anyone provide the O, In and Sn pseudoptentials file? Triratna Muneshwar
  • Re: [SIESTA-L] can anyone provide the O, In and Sn pseudoptentials file? aqingchen
  • Re: [SIESTA-L] can anyone provide the O, In and Sn pseudoptentials file? nibras mossa
  • Re: [SIESTA-L] can anyone provide the O, In and Sn pseudoptentials file? aqingchen
• [SIESTA-L] wave functions - how to get Karolina Milowska
  • Re: [SIESTA-L] wave functions - how to get Francisco Wellery Nunes Silva
  • Re: [SIESTA-L] wave functions - how to get Gomes Rocha
• [SIESTA-L] units of DOS and transmission in Transiesta nuria garcia
• [SIESTA-L] convergence problem in polyner chains vaneeta bala
• [SIESTA-L] hamiltonian matrix sf kshp
• [SIESTA-L] Can siesta calculate the optical properties with the TD-DFT method? 陈阿青
  • Re: [SIESTA-L] Can siesta calculate the optical properties with the TD-DFT method? Gregorio García Moreno
  • Re: [SIESTA-L] Can siesta calculate the optical properties with the TD-DFT method? 陈阿青
  • Re: [SIESTA-L] Can siesta calculate the optical properties with the TD-DFT method? Gregorio García Moreno
• [SIESTA-L] Fw: problem in reading .MD file Surjeet Chandel
• [SIESTA-L] ORB files missing Triratna Muneshwar
• [SIESTA-L] For different initalize of the spatial electron distribution in SIESTA calculation Guangping Zhang
• [SIESTA-L] how to specify hybride functional b3pw91,BLYP in siesta anjana paudyal
• [SIESTA-L] reasonable split-norm for default VTZ basis Herbert Fruchtl
  • Re: [SIESTA-L] reasonable split-norm for default VTZ basis R.C.Pasianot
  • RE: [SIESTA-L] reasonable split-norm for default VTZ basis Herbert Fruchtl
• [SIESTA-L] LDOS---- please help me mehzad fatehan
  • [SIESTA-L] LDOS---- please help me majid fathiyan
• [SIESTA-L] compile siesta 1.3f Mohammad Goodarzi
  • Re: [SIESTA-L] compile siesta 1.3f Gomes Rocha
  • Re: [SIESTA-L] compile siesta 1.3f Mohammad Goodarzi
  • Re: [SIESTA-L] compile siesta 1.3f Marcos Veríssimo Alves
  • Re: [SIESTA-L] compile siesta 1.3f Mohammad Goodarzi
  • Re: [SIESTA-L] compile siesta 1.3f Mohammad Goodarzi
  • Re: [SIESTA-L] compile siesta 1.3f Marcos Veríssimo Alves
  • Re: [SIESTA-L] compile siesta 1.3f Mohammad Goodarzi
• [SIESTA-L] LDOS and GMR mehzad fatehan
  • [SIESTA-L] LDOS and GMR majid fathiyan
• [SIESTA-L] ATOM, Mo.pseudopotential. Ying chen
  • Re: [SIESTA-L] ATOM, Mo.pseudopotential. R.C.Pasianot
• [SIESTA-L] surface energy mehzad fatehan
• [SIESTA-L] workfunction mehzad fatehan
  • Re: [SIESTA-L] workfunction Gomes Rocha
  • Re: [SIESTA-L] workfunction mehzad fatehan
  • [SIESTA-L] cd.psf_and_Se.psf karim rezouali
  • [SIESTA-L] workfunction majid fathiyan
• [SIESTA-L] optimize of layers in surface mehzad fatehan
  • Re: [SIESTA-L] optimize of layers in surface Ary Junior
  • Re: [SIESTA-L] optimize of layers in surface Ary Junior
  • Re: [SIESTA-L] optimize of layers in surface Herbert Fruchtl
  • Re: [SIESTA-L] optimize of layers in surface Ary Junior
• [SIESTA-L] SimulateDoping option Natalia Martsinovich
  • Re: [SIESTA-L] SimulateDoping option Marcos Veríssimo Alves
• [SIESTA-L] problem in reading velocities in .MD file Surjeet Chandel
• [SIESTA-L] Platina is non-magnetic or what it the ATM_POP? isivkov
  • Re: [SIESTA-L] Platina is non-magnetic or what it the ATM_POP? apostnik
  • Re: [SIESTA-L] Platina is non-magnetic or what it the ATM_POP? Marcos Veríssimo Alves
  • Re: [SIESTA-L] Platina is non-magnetic or what it the ATM_POP? apostnik
  • Re: [SIESTA-L] Platina is non-magnetic or what it the ATM_POP? Jaime Ferrer Rodri­guez
  • Re: [SIESTA-L] Platina is non-magnetic or what it the ATM_POP? Lucas Fernandez Seivane
• [SIESTA-L] latticeConstant Mohammad Goodarzi
  • Re: [SIESTA-L] latticeConstant Gomes Rocha
  • Re: [SIESTA-L] latticeConstant Mohammad Goodarzi
  • Re: [SIESTA-L] latticeConstant Gomes Rocha
  • Re: [SIESTA-L] latticeConstant Mohammad Goodarzi
• [SIESTA-L] reading error when using readwf.f to read .WFS file Yuting Li
  • Re: [SIESTA-L] reading error when using readwf.f to read .WFS file Gomes Rocha
  • Re: [SIESTA-L] reading error when using readwf.f to read .WFS file Thomas Manz
  • Re: [SIESTA-L] reading error when using readwf.f to read .WFS file Yuting Li
  • Re: [SIESTA-L] reading error when using readwf.f to read .WFS file Gomes Rocha
• [SIESTA-L] Reading error during using readwf.f to read .WFS file Yuting Li
• [SIESTA-L] compiling the siesta-1.3f Mohammad Goodarzi
  • Re: [SIESTA-L] compiling the siesta-1.3f Zahra Talebi
• [SIESTA-L] Could anybody give me several pseudopotential files, THX Wei Hu
  • Re: [SIESTA-L] Could anybody give me several pseudopotential files, THX Gomes Rocha
  • Re: [SIESTA-L] Could anybody give me several pseudopotential files, THX Zahra Talebi
  • [SIESTA-L] Could anybody give me several pseudopotential files, THX Wei Hu
  • Re: [SIESTA-L] Could anybody give me several pseudopotential files, THX Gomes Rocha
  • Re: Re: [SIESTA-L] Could anybody give me several pseudopotential files, THX Wei Hu
  • Re: Re: Re: [SIESTA-L] Could anybody give me several pseudopotential files, THX Wei Hu
• [SIESTA-L] AtomiccoordinatesAndAtomicSpecies mehzad fatehan
  • [SIESTA-L] AtomicCoordinatesAndAtomicSpecies majid fathiyan
  • Re: [SIESTA-L] AtomicCoordinatesAndAtomicSpecies Sushil Auluck
• [SIESTA-L] Question Mohammad Goodarzi
• [SIESTA-L] Thermochemistry of L-aspartic acid Mohammad Jane Alam

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