siesta-l

Índice cronológico

2018/09/29 Re: [SIESTA-L] parallel version issue of 4-1.-b3, m_orderbands.o: undefined reference to `indxg2p_' saravana prakash
2018/09/29 Re: [SIESTA-L] problem with Vibra and name.FC sullah
2018/09/28 Re: [SIESTA-L] problem with Vibra and name.FC RCP
2018/09/27 [SIESTA-L] problem with Vibra and name.FC sullah
2018/09/26 Re: [SIESTA-L] Spin polarized calculation Sunetra Das
2018/09/26 Re: [SIESTA-L] Concerning siesta 4.1b3 Nick Papior
2018/09/26 [SIESTA-L] Regarding Device.ORB_INDX details for Indium atom Appalakondaiah
2018/09/25 Re: [SIESTA-L] Spin polarized calculation Emilio Artacho
2018/09/25 Re: [SIESTA-L] Concerning siesta 4.1b3 El-abed Haidar
2018/09/24 [SIESTA-L] Spin polarized calculation Sunetra Das
2018/09/24 Re: [SIESTA-L] Problem in tin dioxide Semi-core calculation Mohammadali Eslamian
2018/09/23 Re: [SIESTA-L] parallel version issue of 4-1.-b3, m_orderbands.o: undefined reference to `indxg2p_' Alberto Garcia
2018/09/22 [SIESTA-L] parallel version issue of 4-1.-b3, m_orderbands.o: undefined reference to `indxg2p_' SPT
2018/09/21 Re: [SIESTA-L] online tool for the generation of DFT05 .ion files Leonardo Fonseca
2018/09/20 Re: [SIESTA-L] Problem in tin dioxide Semi-core calculation Emilio Artacho
2018/09/20 Re: [SIESTA-L] online tool for the generation of DFT05 .ion files I. Camps
2018/09/19 [SIESTA-L] online tool for the generation of DFT05 .ion files Leonardo Fonseca
2018/09/14 Re: [SIESTA-L] Concerning siesta 4.1b3 Nick Papior
2018/09/13 [SIESTA-L] Concerning siesta 4.1b3 El-abed Haidar
2018/09/07 [SIESTA-L] band structure and PDOS of the central molecule of device ANKITA JOSHI
2018/09/03 Re: [SIESTA-L] phonon calculations Najmeh Honari
2018/09/03 Re: [SIESTA-L] phonon calculations Najmeh Honari
2018/09/03 Re: [SIESTA-L] phonon calculations Najmeh Honari
2018/08/28 [SIESTA-L] Segmentation fault - Parallel compilation Famili M .
2018/08/28 [SIESTA-L] Segmentation fault - Parallel compilation Famili M .
2018/08/28 Re: [SIESTA-L] Questions about TRANSIESTA workshop Nick Papior
2018/08/27 [SIESTA-L] Siesta CG stopped without warnning 胡涛
2018/08/27 [SIESTA-L] Questions about TRANSIESTA workshop El-abed Haidar
2018/08/27 Re: [SIESTA-L] VACF and PHONON DOS in SIESTA Andrei Postnikov
2018/08/27 Re: [SIESTA-L] Transiesta questions El-abed Haidar
2018/08/26 [SIESTA-L] VACF and PHONON DOS in SIESTA Suman Chowdhury
2018/08/26 Re: [SIESTA-L] Band structure calculations Nick Papior
2018/08/26 Re: [SIESTA-L] Transiesta questions Nick Papior
2018/08/24 [SIESTA-L] Band structure calculations ANKITA JOSHI
2018/08/24 Re: [SIESTA-L] Transiesta questions El-abed Haidar
2018/08/24 Re: [SIESTA-L] Transiesta questions El-abed Haidar
2018/08/24 Re: [SIESTA-L] << SIESTA wavefunction -> Multiwfn >> Peter Koval
2018/08/24 [SIESTA-L] [***Posible SPAM***]Re: << SIESTA wavefunction -> Multiwfn >> Cina Foroutan-Nejad
2018/08/23 Re: [SIESTA-L] << SIESTA wavefunction -> Multiwfn >> I. Camps
2018/08/23 Re: [SIESTA-L] Transiesta questions Nick Papior
2018/08/22 [SIESTA-L] Transiesta questions El-abed Haidar
2018/08/21 Re: [SIESTA-L] << SIESTA wavefunction -> Multiwfn >> Peter Koval
2018/08/21 [SIESTA-L] error in eigenvalue obtained from MPSH calculation Ankita Joshi
2018/08/20 [SIESTA-L] MPSH state of HOMO and LUMO in the scatttering region Ankita Joshi
2018/08/16 Re: [SIESTA-L] phonon calculations Nick Papior
2018/08/16 Re: [SIESTA-L] phonon calculations T. Liu
2018/08/16 Re: [SIESTA-L] phonon calculations RCP
2018/08/15 [SIESTA-L] << SIESTA wavefunction -> Multiwfn >> I. Camps
2018/08/15 [SIESTA-L] phonon calculations Najmeh Honari
2018/08/10 [SIESTA-L] Intel MKL ERROR issue for running parallel siesta Fen Hong
2018/08/07 Re: [SIESTA-L] Error in running grid2cube Ankita Joshi
2018/08/07 Re: [SIESTA-L] Issue with installation siesta 4.0 Nick Papior
2018/08/06 Re: [SIESTA-L] Error in running grid2cube Nick Papior
2018/08/06 [SIESTA-L] Issue with installation siesta 4.0 Mirwaiz Rahaman
2018/08/06 Re: [SIESTA-L] Error in running grid2cube Andrei Postnikov
2018/08/06 Re: [SIESTA-L] Error in running grid2cube Salvador Barraza-Lopez
2018/08/05 [SIESTA-L] Error in running grid2cube Ankita Joshi
2018/08/03 Re: [SIESTA-L] TBT.Current.Orb Problem Nick Papior
2018/08/03 Re: [SIESTA-L] Siesta as a package of Anaconda Nick Papior
2018/08/03 Re: [SIESTA-L] Siesta as a package of Anaconda Peter Koval
2018/08/03 Re: [SIESTA-L] Siesta as a package of Anaconda Peter Koval
2018/08/02 [SIESTA-L] Siesta as a package of Anaconda berna uyanık
2018/08/01 [SIESTA-L] TBT.Current.Orb Problem Reese
2018/07/31 RE: [SIESTA-L] /obj_setup.sh bug? Alves Perdigao, Luis
2018/07/31 [SIESTA-L] Lowdin charges Marcos Veríssimo Alves
2018/07/30 Re: [SIESTA-L] /obj_setup.sh bug? Mahmood Naderan
2018/07/29 Re: [SIESTA-L] /obj_setup.sh bug? Nick Papior
2018/07/28 [SIESTA-L] /obj_setup.sh bug? Alves Perdigao, Luis
2018/07/26 Re: [SIESTA-L] mpi run issue with 4.0.2 Mahmood Naderan
2018/07/24 Re: [SIESTA-L] Electrical Dipole Moment Seyed Mohammad Tabatabaei
2018/07/23 Re: [SIESTA-L] mpi run issue with 4.0.2 RCP
2018/07/23 Re: [SIESTA-L] Electrical Dipole Moment Emilio Artacho
2018/07/22 Re: [SIESTA-L] Release of siesta-4.0.2 berna uyanık
2018/07/22 [SIESTA-L] No Makefile for 4.0.2 Mahmood Naderan
2018/07/22 [SIESTA-L] Electrical Dipole Moment Seyed Mohammad Tabatabaei
2018/07/22 [SIESTA-L] mpi run issue with 4.0.2 Mahmood Naderan
2018/07/22 Re: [SIESTA-L] mpi_siesta.mod not found while exists Mahmood Naderan
2018/07/22 Re: [SIESTA-L] No Makefile for 4.0.2 Mahmood Naderan
2018/07/21 Re: [SIESTA-L] mpi_siesta.mod not found while exists Mahmood Naderan
2018/07/21 Re: [SIESTA-L] Release of siesta-4.0.2 berna uyanık
2018/07/20 Re: [SIESTA-L] mpi_siesta.mod not found while exists Nick Papior
2018/07/20 Re: [SIESTA-L] mpi_siesta.mod not found while exists Mehdi Shamekhi
2018/07/20 [SIESTA-L] Release of siesta-4.0.2 Nick Papior
2018/07/19 [SIESTA-L] mpi_siesta.mod not found while exists Mahmood Naderan
2018/07/19 [SIESTA-L] mpi_siesta.mod not found while exists Mahmood Naderan
2018/07/18 Re: [SIESTA-L] cell vector not converged Najmeh Honari
2018/07/16 Re: [SIESTA-L] cell vector not converged Andrei Postnikov
2018/07/15 Re: [SIESTA-L] cell vector not converged Najmeh Honari
2018/07/14 Re: [SIESTA-L] cell vector not converged sauluck
2018/07/14 Re: [SIESTA-L] cell vector not converged Andrei Postnikov
2018/07/13 [SIESTA-L] cell vector not converged Sunetra Das
2018/07/12 Re: [SIESTA-L] molecular dynamics (AIMD) calculations Alberto Garcia
2018/07/11 Re[2]: [SIESTA-L] OPTIMIZATION(ZnO) Mehdi Shamekhi
2018/07/11 Re: [SIESTA-L] OPTIMIZATION(ZnO) Sonu Kumar
2018/07/11 Re: [SIESTA-L] molecular dynamics (AIMD) calculations sullah
2018/07/11 Re: [SIESTA-L] optimization sullah
2018/07/10 Re: [SIESTA-L] OPTIMIZATION(ZnO) Dinesh Thapa
2018/07/09 [SIESTA-L] Virtual Crystal Approximation and Ghost States D. Bennett
2018/07/09 Re: [SIESTA-L] OPTIMIZATION(ZnO) Mehdi Shamekhi
2018/07/08 Re: [SIESTA-L] optimization Sunetra Das
2018/07/06 [SIESTA-L] OPTIMIZATION(ZnO) Dinesh Thapa
2018/07/05 Re: [SIESTA-L] molecular dynamics (AIMD) calculations Alberto Garcia
2018/07/03 Re: [SIESTA-L] What Program can Read the File.LDOS? sullah
2018/07/03 Re: [SIESTA-L] molecular dynamics (AIMD) calculations sullah
2018/07/03 [SIESTA-L] optical properties 李晓阳
2018/07/03 Re: [SIESTA-L] Energy minimization and displacement Nick Papior
2018/07/02 Re: [SIESTA-L] What Program can Read the File.LDOS? Patrick Lee
2018/07/02 [SIESTA-L] molecular dynamics (AIMD) calculations Najmeh Honari
2018/07/02 Re: [SIESTA-L] optimization Sunetra Das
2018/07/02 Re: [SIESTA-L] Energy minimization and displacement Harsh Shah
2018/07/01 [SIESTA-L] Translation of PSML to psf format? Marcos Veríssimo Alves
2018/07/01 Re: [SIESTA-L] optimization sullah
2018/07/01 Re: [SIESTA-L] What Program can Read the File.LDOS? sullah
2018/07/01 Re: [SIESTA-L] Properly do BAND STRUCTURE study using SIESTA sullah
2018/06/30 Re[2]: [SIESTA-L] Energy minimization and displacement Mehdi Shamekhi
2018/06/30 Re[2]: [SIESTA-L] Energy minimization and displacement Mehdi Shamekhi
2018/06/30 [SIESTA-L] What Program can Read the File.LDOS? ??????
2018/06/30 [SIESTA-L] Properly do BAND STRUCTURE study using SIESTA El-abed Haidar
2018/06/29 Re: [SIESTA-L] Calculating cohesive energy in the fastest but most efficient manner? El-abed Haidar
2018/06/29 Re: [SIESTA-L] optimization Sunetra Das
2018/06/28 Re: [SIESTA-L] optimization sullah
2018/06/28 Re: [SIESTA-L] Energy minimization and displacement Harsh Shah
2018/06/28 Re: [SIESTA-L] Calculating cohesive energy in the fastest but most efficient manner? Nick Papior
2018/06/27 [SIESTA-L] Calculating cohesive energy in the fastest but most efficient manner? El-abed Haidar
2018/06/27 Re: [SIESTA-L] Energy minimization and displacement Mehdi Shamekhi
2018/06/26 [SIESTA-L] Energy minimization and displacement Harsh Shah
2018/06/26 Re: [SIESTA-L] file running for long time without error Harsh Shah
2018/06/26 Re: [SIESTA-L] optimization sullah
2018/06/26 Re: [SIESTA-L] new version fatemeh ghorbani
2018/06/26 Re: [SIESTA-L] new version fatemeh ghorbani
2018/06/25 Re: [SIESTA-L] optimization Sunetra Das
2018/06/25 Re[2]: [SIESTA-L] Band structure (Silver) Mehdi Shamekhi
2018/06/25 [SIESTA-L] optimization Sunetra Das
2018/06/25 Re: [SIESTA-L] new version Nick Papior
2018/06/25 Re: [SIESTA-L] running steps Paulo André de Morais
2018/06/25 Re: [SIESTA-L] running steps berna uyanık
2018/06/25 Re: [SIESTA-L] new version berna uyanık
2018/06/25 [SIESTA-L] Workshop in TBtrans + TranSiesta + sisl, Nov. 20-23 - 2018 @ DTU Nanotech Nick Papior
2018/06/25 Re: [SIESTA-L] running steps Nibras Mossa
2018/06/25 Re: [SIESTA-L] running steps bakerbassel
2018/06/24 [SIESTA-L] running steps fatemeh
2018/06/24 [SIESTA-L] new version fatemeh ghorbani
2018/06/24 Re: [SIESTA-L] running steps fatemeh
2018/06/23 Re: [SIESTA-L] Band structure (Silver) Dinesh Thapa
2018/06/23 Re: [SIESTA-L] Issues with pDOS in SIESTA sullah
2018/06/22 Re: [SIESTA-L] Issues with pDOS in SIESTA El-abed Haidar
2018/06/22 Re: [SIESTA-L] Band structure (Silver) Nick Papior
2018/06/22 RE: [SIESTA-L] Error while running make bakerbassel
2018/06/22 Re: [SIESTA-L] Error while running make bakerbassel
2018/06/21 Re: [SIESTA-L] Error while running make Mehdi Shamekhi
2018/06/21 RE: [SIESTA-L] Error while running make Dr. Mohan L. Verma
2018/06/21 Re: [SIESTA-L] Issues with pDOS in SIESTA Nick Papior
2018/06/21 [SIESTA-L] Band structure (Silver) Dinesh Thapa
2018/06/20 [SIESTA-L] Error while running make Bassel Baker
2018/06/20 [SIESTA-L] Error while running make Bassel Baker
2018/06/19 Re: [SIESTA-L] Optical properties Nadia Salami
2018/06/19 Re: [SIESTA-L] Band structure Kamaraj M
2018/06/19 Re: [SIESTA-L] Optical properties I. Camps
2018/06/18 Re: [SIESTA-L] Optical properties Nick Papior
2018/06/18 [SIESTA-L] Band structure Dinesh Thapa
2018/06/18 Re: [SIESTA-L] Optical properties Nadia Salami
2018/06/16 [SIESTA-L] Optical properties Nadia Salami
2018/06/16 [SIESTA-L] Optical properties Nadia Salami
2018/06/15 Re: [SIESTA-L] Warning in Siesta 4.1-b3 ("connected supercells may have changed") Mehdi Shamekhi
2018/06/14 [SIESTA-L] Warning in Siesta 4.1-b3 ("connected supercells may have changed") Marcos Veríssimo Alves
2018/06/11 Re[2]: [SIESTA-L] file running for long time without error Mehdi Shamekhi
2018/06/10 Re: [SIESTA-L] file running for long time without error Ali Roohforouz
2018/06/10 Re: [SIESTA-L] file running for long time without error berna uyanık
2018/06/10 Re: [SIESTA-L] file running for long time without error berna uyanık
2018/06/10 [SIESTA-L] Should spin-polarized calculations be done for DFT investigations of a slab? Nadia Salami
2018/06/09 Re[2]: [SIESTA-L] file running for long time without error Mehdi Shamekhi
2018/06/08 Re: [SIESTA-L] file running for long time without error Harsh Shah
2018/06/07 Re: [SIESTA-L] file running for long time without error Mehdi Shamekhi
2018/06/06 Re: [SIESTA-L] SIESTA question at the beginning of the fdf run El-abed Haidar
2018/06/06 [SIESTA-L] forrtl: severe (66) error mohadeseh mehmandoost
2018/06/06 [SIESTA-L] << plugin for Notepad++ >> I. Camps
2018/06/06 [SIESTA-L] file running for long time without error Harsh Shah
2018/06/06 Re: [SIESTA-L] SIESTA question aha102
2018/06/05 Re: [SIESTA-L] SIESTA question at the beginning of the fdf run Mehdi Shamekhi
2018/06/04 [SIESTA-L] SIESTA question at the beginning of the fdf run El-abed Haidar
2018/06/01 Re: [SIESTA-L] Question about output of total spin in spin-orbit calculation Marcos Veríssimo Alves
2018/05/29 [SIESTA-L] Question about 'Macroave' Patrick Lee
2018/05/28 [SIESTA-L] gga pseudopotentials Sunetra Das
2018/05/27 [SIESTA-L] non metallic electrodes Zara Nosh
2018/05/25 Re: [SIESTA-L] Spin polarized wavefunctions with denchar Nick Papior
2018/05/25 Re: [SIESTA-L] Question about output of total spin in spin-orbit calculation sauluck
2018/05/24 [SIESTA-L] Question about output of total spin in spin-orbit calculation Marcos Veríssimo Alves
2018/05/24 Re: [SIESTA-L] transport for 2D materials berna uyanık
2018/05/24 Re: [SIESTA-L] transport for 2D materials Salvador Barraza-Lopez
2018/05/24 Re: [SIESTA-L] transport for 2D materials Salvador Barraza-Lopez
2018/05/23 Re: [SIESTA-L] Vdw pseudopotential berna uyanık
2018/05/23 Re: [SIESTA-L] transport for 2D materials Zara Nosh
2018/05/23 Re: [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Bibhas Manna
2018/05/23 Re: [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Bibhas Manna
2018/05/22 [SIESTA-L] Macroave Seyed Mohammad Tabatabaei
2018/05/22 Re: [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Leonardo Fonseca
2018/05/22 Re: [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Nick Papior
2018/05/22 Re: [SIESTA-L] optimisation monoclinic to orthorhombic T. Liu
2018/05/22 [SIESTA-L] Macroave for nonorthorhombic supercells Seyed Mohammad Tabatabaei
2018/05/22 Re: [SIESTA-L] transport for 2D materials Nick Papior