siesta-l  

Índice temático

• [SIESTA-L] Fw: compile tbtrans Mehrzad Sasanpoor
• Re: [SIESTA-L] allocation error kuilin lu
  • Re: [SIESTA-L] allocation error sf kshp
• [SIESTA-L] Request for split norm value problem mamta chauhan
  • Re: [SIESTA-L] Request for split norm value problem kuilin lu
• [SIESTA-L] Pseudopotential problem 毛飞
  • Re: [SIESTA-L] Pseudopotential problem Sushil Auluck
  • Re: Re: [SIESTA-L] Pseudopotential problem 毛飞
  • Re: Re: [SIESTA-L] Pseudopotential problem 毛飞
• [SIESTA-L] Reg: Optical Property calculations....... acharya k.l.n.
  • Re: [SIESTA-L] Reg: Optical Property calculations....... Marty Blaber
  • Re: [SIESTA-L] Reg: Optical Property calculations....... acharya k.l.n.
  • Re: [SIESTA-L] Reg: Optical Property calculations....... Marty Blaber
  • Re: [SIESTA-L] Reg: Optical Property calculations....... acharya k.l.n.
  • Re: [SIESTA-L] Reg: Optical Property calculations....... Marty Blaber
• [SIESTA-L] Re: Problem with OrderN Alexander G. Kvashnin
• Re: [SIESTA-L] Reg: Visualization software Sanjeev Gupta
  • Re: [SIESTA-L] Reg: Visualization software Gabriele Penazzi
• Re: [SIESTA-L] External E field Michael Shin
  • Re: [SIESTA-L] External E field Ulrich Biedermann
  • Re: [SIESTA-L] External E field Nick Papior Andersen
• [SIESTA-L] Reg: Optical properties calculations in siesta acharya k.l.n.
  • Re: [SIESTA-L] Reg: Optical properties calculations in siesta Tawalbeh
  • [SIESTA-L] Reg: Optical properties calculations in siesta acharya k.l.n.
• [SIESTA-L] What is the warning? 毛飞
• [SIESTA-L] Relativistic correction 毛飞
• [SIESTA-L] dDmax value y_kusumawati
  • Re: [SIESTA-L] dDmax value arun dhiman
  • Re: [SIESTA-L] dDmax value kuilin lu
• [SIESTA-L] mixps question Dmitry G. Kvashnin
• Re: [SIESTA-L] Reg: run siesta Nick Papior Andersen
  • Re: [SIESTA-L] Reg: run siesta Dr. Amar Bahadur
• [SIESTA-L] Fwd: thanks for the help Dr. Amar Bahadur
• Re: [SIESTA-L] Reg: Siesta-3.1 installation error Renato Batista
• [SIESTA-L] Nir Goldman Nir Goldman
  • Re: [SIESTA-L] Nir Goldman Lucas Fernandez Seivane
  • Re: [SIESTA-L] Nir Goldman Goldman, Nir
  • Re: [SIESTA-L] Nir Goldman Lucas Fernandez Seivane
• [SIESTA-L] Problem regarding post processing for wavefunction at specific energy using DENCHAR Khan Muhammad
  • [SIESTA-L] Problem regarding post processing for wavefunction at specific energy using DENCHAR Khan Muhammad
  • Re: [SIESTA-L] Problem regarding post processing for wavefunction at specific energy using DENCHAR Tristana Sondon
• [SIESTA-L] Siesta RAM "abuse" Iván Pulido Sanchez
  • Re: [SIESTA-L] Siesta RAM "abuse" Nick Papior Andersen
  • Re: [SIESTA-L] Siesta RAM "abuse" kuilin lu
  • Re: [SIESTA-L] Siesta RAM "abuse" Iván Pulido Sanchez
• Re: [SIESTA-L] Verlet MD option Zhen Zhu
  • Re: [SIESTA-L] Verlet MD option Renato Batista
• [SIESTA-L] Beginner of SIESTA acharya k.l.n.
• [SIESTA-L] "Density Matrix sparsity pattern changed" after 500 steps Herbert Fruchtl
  • Re: [SIESTA-L] "Density Matrix sparsity pattern changed" after 500 steps kuilin lu
  • Re: [SIESTA-L] "Density Matrix sparsity pattern changed" after 500 steps Herbert Fruchtl
  • Re: [SIESTA-L] "Density Matrix sparsity pattern changed" after 500 steps Nick Papior Andersen
• [SIESTA-L] VDW for a hundred of atoms Mariusz Krawiec
  • [SIESTA-L] How to leave SIESTA's mail list Jack Medley
  • Re: [SIESTA-L] How to leave SIESTA's mail list kuilin lu
  • Re: [SIESTA-L] VDW for a hundred of atoms kuilin lu
  • Re: [SIESTA-L] VDW for a hundred of atoms Mariusz Krawiec
• [SIESTA-L] Adding point charges Ambrosio, Francesco
  • Re: [SIESTA-L] Adding point charges Oleksandr Voznyy
  • RE: [SIESTA-L] Adding point charges Ambrosio, Francesco
  • RE: [SIESTA-L] Adding point charges Ambrosio, Francesco
  • Re: [SIESTA-L] Adding point charges Oleksandr Voznyy
• [SIESTA-L] Spin-Orbit coupling in Siesta or Transiesta. Sin
• [SIESTA-L] non linear core corrections akshu hans
  • Re: [SIESTA-L] non linear core corrections 李晔飞
• [SIESTA-L] Problem using TBTrans Jonthan R. Owens
• [SIESTA-L] Problem with fermi energi y_kusumawati
  • Re: [SIESTA-L] Problem with fermi energi Emilio Artacho
• [SIESTA-L] eneryband in siesta liuyunlong0902
  • Re: [SIESTA-L] eneryband in siesta kuilin lu
• [SIESTA-L] How to define the Au(111) atoms layers for a system Watheq Elias
• [SIESTA-L] Posible SPAM: fwd: reza behnam
  • [SIESTA-L] Posible SPAM: FWD: Reyhaneh Hashemi
• [SIESTA-L] How to calculate the carrier mobility of graphene on substrates Zhendong Guo
• [SIESTA-L] kpoint sampling for tbtrans Diana Otalvaro
• [SIESTA-L] Problem to compiler the Plrho Renato Batista
• [SIESTA-L] Convergence: DM.Tolerance vs. DM.Energy.Tolerance Diana Otalvaro
• [RE]Re: [RE]Re: [RE]Re: [RE]Re: [SIESTA-L] How to obtain the eigestates ofchannel in transport calculation Khan Muhammad
  • Re: [RE]Re: [RE]Re: [RE]Re: [RE]Re: [SIESTA-L] How to obtain the eigestates ofchannel in transport calculation Henrik Löfås
• [RE]Re: [RE]Re: [RE]Re: [SIESTA-L] How to obtain the eigestates of channel in transport calculation Khan Muhammad
  • [RE]Re: [RE]Re: [RE]Re: [SIESTA-L] How to obtain the eigestates of channel in transport calculation Khan Muhammad
• [SIESTA-L] NEGF convergence Juan Manuel Aguiar
• [RE]Re: [RE]Re: [SIESTA-L] How to obtain the eigestates of channel in transport calculation Khan Muhammad
  • Re: [RE]Re: [RE]Re: [SIESTA-L] How to obtain the eigestates of channel in transport calculation Henrik Löfås
• [RE]Re: [SIESTA-L] How to obtain the eigestates of channel in transport calculation Khan Muhammad
• [SIESTA-L] How to obtain the eigestates of channel in transport calculation Khan Muhammad
  • Re: [SIESTA-L] How to obtain the eigestates of channel in transport calculation Guangping Zhang
• [SIESTA-L] Cu(111) surface Yi Gao
  • Re: [SIESTA-L] Cu(111) surface Herbert Fruchtl
  • Re: [SIESTA-L] Cu(111) surface Ian Shuttleworth
• [SIESTA-L] Posible SPAM: How to calculate band gap from systemlabel.EIG file houssam daoud
• [SIESTA-L] Gallium Bulk Renato Batista
• Re: [SIESTA-L] Surface relaxation taoohee
• Re: [SIESTA-L] Doping density in Transiesta Henrik Löfås
• [SIESTA-L] unit of current in transiesta eb na
• [SIESTA-L] IV characteristics Juan Manuel Aguiar
  • Re: [SIESTA-L] IV characteristics Guangping Zhang
  • Re: [SIESTA-L] IV characteristics Juan Manuel Aguiar
  • Re: [SIESTA-L] IV characteristics Gabriele Penazzi
  • Re: [SIESTA-L] IV characteristics Juan Manuel Aguiar
• [SIESTA-L] Adsorption energy of an ion Herbert Fruchtl
  • Re: [SIESTA-L] Adsorption energy of an ion Ulrich Biedermann
  • Re: [SIESTA-L] Adsorption energy of an ion Lucas Wagner
• Re: [SIESTA-L] siesta relaxation question Abraham Hmiel
• Re: [SIESTA-L] Phonons negative frequencies apostnik
  • Re: [SIESTA-L] Phonons negative frequencies Carlo Motta
  • Re: [SIESTA-L] Phonons negative frequencies apostnik
  • Re: [SIESTA-L] Phonons negative frequencies nibras mossa
  • Re: [SIESTA-L] Phonons negative frequencies Carlo Motta
• [SIESTA-L] Caps data files Mahmoud Hammouri
• [SIESTA-L] Basis Set of Boron Jian Lv
• [SIESTA-L] siesta spin polarization problem shihitwh
  • Re: [SIESTA-L] siesta spin polarization problem Fuentes, Adolfo
  • Re: [SIESTA-L] siesta spin polarization problem apostnik
• [SIESTA-L] Transiesta: handling the case left_elec different from right_elec Diana Otalvaro
• [SIESTA-L] effect of semicore states on transport properties Federico Iori
  • Re: [SIESTA-L] effect of semicore states on transport properties Derek Stewart
  • Re: [SIESTA-L] effect of semicore states on transport properties Federico Iori
• [SIESTA-L] New development snapshot Alberto Garcia
• [SIESTA-L] A current sharp decline and an erro in compiling denchar 隆小江
  • Re: [SIESTA-L] A current sharp decline and an erro in compiling denchar nibras mossa
  • [SIESTA-L] A current sharp decline and an erro in compiling denchar 隆小江
• [SIESTA-L] Transmission function projection Carlo Motta
  • Re: [SIESTA-L] Transmission function projection Gabriele Penazzi
  • Re: [SIESTA-L] Transmission function projection Carlo Motta
• [SIESTA-L] Transmission at user specified K-points with Transiesta Diana Otalvaro
  • Re: [SIESTA-L] Transmission at user specified K-points with Transiesta Federico Iori
  • Re: [SIESTA-L] Transmission at user specified K-points with Transiesta Salvador Barraza-Lopez
  • Re: [SIESTA-L] Transmission at user specified K-points with Transiesta Henrik Löfås
  • Re: [SIESTA-L] Transmission at user specified K-points with Transiesta Diana Otalvaro
• [SIESTA-L] BZ sampling with user generated list of kpoints Diana Otalvaro
  • Re: [SIESTA-L] BZ sampling with user generated list of kpoints apostnik
  • Re: [SIESTA-L] BZ sampling with user generated list of kpoints Diana Otalvaro
• [SIESTA-L] Occupation of electronic states Federico Iori
  • Re: [SIESTA-L] Occupation of electronic states Marcos Veríssimo Alves
  • Re: [SIESTA-L] Occupation of electronic states Riccardo Rurali
  • Re: [SIESTA-L] Occupation of electronic states Federico Iori
• [SIESTA-L] the psf file of Ga, P, and As liuyunlong0902
• [SIESTA-L] results denpend on the number of core using Guangping Zhang
  • Re: [SIESTA-L] results denpend on the number of core using Huan Tran
  • Re: [SIESTA-L] results denpend on the number of core using Nick Papior Andersen
  • Re: [SIESTA-L] results denpend on the number of core using Ray Sheppard
  • Re: Re: [SIESTA-L] results denpend on the number of core using Guangping Zhang
  • Re: Re: [SIESTA-L] results denpend on the number of core using Nick Papior Andersen
  • Re: Re: Re: [SIESTA-L] results denpend on the number of core using Guangping Zhang
  • RE: [SIESTA-L] The Mo pseudopotential Tomohiko Tasaka
• [SIESTA-L] How to plot the pseudopotetial Renato Batista
• [SIESTA-L] problem in running tests Ali Ihsan Goker
  • Re: [SIESTA-L] problem in running tests Dr. Mohan L. Verma
  • [SIESTA-L] pseudopotential_for_exotic_atoms karim rezouali
• [SIESTA-L] Grid2cube Renato Batista
  • Re: [SIESTA-L] Grid2cube Nick Papior Andersen
  • [SIESTA-L] Grid2cube Renato Batista
• [SIESTA-L] Finding Magnetic Moments Using SIESTA Jack Medley
  • Re: [SIESTA-L] Finding Magnetic Moments Using SIESTA Andrey N. Sobolev
  • Re: [SIESTA-L] Finding Magnetic Moments Using SIESTA Ulrich Biedermann
  • Re: [SIESTA-L] Finding Magnetic Moments Using SIESTA apostnik
• [SIESTA-L] Band Structure Results y_kusumawati
  • Re: [SIESTA-L] Band Structure Results apostnik
  • Re: [SIESTA-L] Band Structure Results apostnik
• [SIESTA-L] A question about how to explain my calculation 隆小江
• [SIESTA-L] make: *** [Murnaghan] Error 1 Pradeep Kumar
  • Re: [SIESTA-L] make: *** [Murnaghan] Error 1 Nick Papior Andersen
  • Re: [SIESTA-L] make: *** [Murnaghan] Error 1 Pradeep Kumar
• [SIESTA-L] Transiesta example Juan Manuel Aguiar
• [SIESTA-L] units in .bands Karolina Milowska
• [SIESTA-L] .KP file Abbas Ebnonnasir
  • Re: [SIESTA-L] .KP file R.C.Pasianot
• Re: [SIESTA-L] install nibras mossa
• Re: [SIESTA-L] xv2xsf conversion apostnik
  • Re: [SIESTA-L] xv2xsf conversion Pradeep Kumar
• [SIESTA-L] Posible SPAM: Urgent Help Dr. Mohan L. Verma
• [SIESTA-L] Posible SPAM: hello Dahbia Ammi
• [SIESTA-L] Ge psf JCLou
  • Re: [SIESTA-L] Ge psf JCLou
• [SIESTA-L] Phonon DOS calculation Abbas Ebnonnasir
  • Re: [SIESTA-L] Phonon DOS calculation R.C.Pasianot
• [SIESTA-L] Problem increasing number of k-points (>1) when running in parallel houssam daoud
• [SIESTA-L] HSE functional Alexandra Inês Sarabando de Carvalho
  • Re: [SIESTA-L] HSE functional Jose M. Soler
  • Re: [SIESTA-L] HSE functional shanghui
  • Re: [SIESTA-L] HSE functional Alexandra Inês Sarabando de Carvalho
• [SIESTA-L] Posible SPAM: hey Dahbia Ammi
• [SIESTA-L] Slowdown on geometry optimization Clive Bealing
• [SIESTA-L] optical properties of metals Herbert Fruchtl
  • Re: [SIESTA-L] optical properties of metals Roland Gillen
• Re: [SIESTA-L] Ni bulk calculation Peter Wang
  • Re: [SIESTA-L] Ni bulk calculation Ian Shuttleworth
  • Re: [SIESTA-L] Ni bulk calculation Roland Gillen
  • Re: [SIESTA-L] Ni bulk calculation Ian Shuttleworth
• [SIESTA-L] phonon calculation error Fen Hong
  • Re: [SIESTA-L] phonon calculation error Guangping Zhang
  • Re: [SIESTA-L] phonon calculation error R.C.Pasianot
  • Re: [SIESTA-L] phonon calculation error apostnik
  • Re: [SIESTA-L] phonon calculation error Fen Hong
• [SIESTA-L] print out electronic occupation numbers Goldman, Nir
  • Re: [SIESTA-L] print out electronic occupation numbers Diana Otalvaro
• [SIESTA-L] Band-Structure Analysis y_kusumawati
  • Re: [SIESTA-L] Band-Structure Analysis Dr. Ghous Bakhsh Narejo
  • Re: [SIESTA-L] Band-Structure Analysis Zahra Talebi

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