siesta-l

Índice cronológico

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
2018/05/21 [SIESTA-L] Vdw pseudopotential Azadeh Ayatollahie
2018/05/21 [SIESTA-L] problem in SCF convergence in transiesta run at higher bias points Bibhas Manna
2018/05/21 [SIESTA-L] Theory aha102
2018/05/21 [SIESTA-L] PIEZOELECTRIC behavior Suman Chowdhury
2018/05/21 Re: [SIESTA-L] transport for 2D materials Zara Nosh
2018/05/20 Re: [SIESTA-L] transport for 2D materials Nick Papior
2018/05/19 Re: [SIESTA-L] optimisation monoclinic to orthorhombic Salvador Barraza-Lopez
2018/05/19 [SIESTA-L] Spin polarized wavefunctions with denchar Jens Hertkorn
2018/05/19 [SIESTA-L] transport for 2D materials Zara Nosh
2018/05/18 Re: [SIESTA-L] optimisation monoclinic to orthorhombic Leonardo Fonseca
2018/05/17 [SIESTA-L] optimisation monoclinic to orthorhombic T. Liu
2018/05/15 Re: [SIESTA-L] accuracy of current in transiesta calculations Nick Papior
2018/05/14 [SIESTA-L] accuracy of current in transiesta calculations Zara Nosh
2018/05/04 Re: [SIESTA-L] Spin polarised band structure Sunetra Das
2018/05/03 Re: [SIESTA-L] Spin polarised band structure Nick Papior
2018/05/02 [SIESTA-L] eig2bxsf code error Sunetra Das
2018/05/02 [SIESTA-L] questions about scale factor for basis set in Siesta Hou, Songjun
2018/05/02 Re: [SIESTA-L] Spin polarised band structure Sunetra Das
2018/05/01 Re: [SIESTA-L] Spin polarised band structure Zeila Zanolli
2018/05/01 Re: [SIESTA-L] voltage drop behavior Nick Papior
2018/05/01 Re: [SIESTA-L] Spin polarised band structure Nick Papior
2018/05/01 Re: [SIESTA-L] Spin polarised band structure I. Camps
2018/05/01 Re: [SIESTA-L] Spin polarised band structure sullah
2018/04/30 [SIESTA-L] Spin polarised band structure Sunetra Das
2018/04/27 [SIESTA-L] voltage drop behavior Zara Nosh
2018/04/26 Re: [SIESTA-L] MATEL: NQ too small for required cutoff. Peter Koval
2018/04/25 [SIESTA-L] Unfolding the supercell band structure MB MB
2018/04/25 Re: [SIESTA-L] MATEL: NQ too small for required cutoff. 王亮
2018/04/25 Re: [SIESTA-L] MATEL: NQ too small for required cutoff. 王亮
2018/04/25 Re: [SIESTA-L] Zval ERROR 王亮
2018/04/25 Re: [SIESTA-L] MATEL: NQ too small for required cutoff. Nick Papior
2018/04/24 [SIESTA-L] MATEL: NQ too small for required cutoff. 王亮
2018/04/23 [SIESTA-L] Zval ERROR 王亮
2018/04/20 Re: [SIESTA-L] DFT+1/2 berna uyanık
2018/04/20 Re: [SIESTA-L] Eig2DOS: problems with format in ioeig.f in SIESTA Nick Papior
2018/04/20 [SIESTA-L] .out (local pseudopotencial value) laura.o.vendrame
2018/04/19 Re: [SIESTA-L] DFT+1/2 Nick Papior
2018/04/19 [SIESTA-L] Eig2DOS: problems with format in ioeig.f in SIESTA tkos
2018/04/18 [SIESTA-L] Approximation van der Waals Mahbubeh Amiri
2018/04/18 Re: [SIESTA-L] Problem in installing siesta-4.0 Suman deep
2018/04/18 Re: [SIESTA-L] Problem in installing siesta-4.0 Sonu Kumar
2018/04/18 [SIESTA-L] DFT+1/2 berna uyanık
2018/04/18 Re: [SIESTA-L] Problem in installing siesta-4.0 王亮
2018/04/17 [SIESTA-L] Problem in installing siesta-4.0 SUSHILA BHATT
2018/04/16 Re: [SIESTA-L] electrostatic potential Julio Henrique
2018/04/14 Re: [SIESTA-L] electrostatic potential Laura O.
2018/04/11 Re: [SIESTA-L] electrostatic potential Zara Nosh
2018/04/10 [SIESTA-L] electrostatic potential laura.o.vendrame
2018/04/10 [SIESTA-L] Electrostatic Potential Laura O.
2018/04/07 Re: [SIESTA-L] SOC "spin-orbit coupling" error Koussai LAZAAR
2018/04/07 [SIESTA-L] InBi calculation problem Koussai LAZAAR
2018/04/03 Re: [SIESTA-L] Trouble with Siesta 4.0.1. Nick Papior
2018/04/02 Re: [SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank Nick Papior
2018/04/01 [SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank maryam jamaati
2018/03/28 Re: [SIESTA-L] allocate error in SIESTA Geometry optimization Sujith M
2018/03/27 Re: [SIESTA-L] allocate error in SIESTA Geometry optimization Nick Papior
2018/03/26 [SIESTA-L] Variable cell with NVT ensemble sullah
2018/03/26 [SIESTA-L] allocate error in SIESTA Geometry optimization Sujith M
2018/03/23 [SIESTA-L] Trouble with Siesta 4.0.1. Neu, Jens
2018/03/19 Re: [SIESTA-L] [SUSPECTED][RI] In Spin orbit calculation, can I read *.ion file as a pseudopotential? Alberto Garcia
2018/03/19 Re: [SIESTA-L] How to transform from *.ion file to *.psf file? Ioan Baldea
2018/03/19 Re: [SIESTA-L] parallel version Sujith M
2018/03/15 [SIESTA-L] parallel version Li Siqian
2018/03/15 [SIESTA-L] In Spin orbit calculation, can I read *.ion file as a pseudopotential? Yunhee Chang
2018/03/15 [SIESTA-L] How to transform from *.ion file to *.psf file? Yunhee Chang
2018/03/14 [SIESTA-L] Spin-orbit coupling calculation of InAs and GaSb 장윤희
2018/03/14 Re: [SIESTA-L] SOC "spin-orbit coupling" error KAREEKUNNAN Afsal
2018/03/14 Re: [SIESTA-L] SOC "spin-orbit coupling" error Saif Ullah
2018/03/13 [SIESTA-L] SOC "spin-orbit coupling" error Koussai LAZAAR
2018/03/08 [SIESTA-L] Workshop in SIESTA, March 15, Imaginenano, Bilbao, Spain Monica Garcia
2018/03/05 Re: [SIESTA-L] Transmission Pathways Fazle Subhan
2018/03/04 Re: [SIESTA-L] Hybrid functional Руслан Жачук
2018/03/03 [SIESTA-L] Hybrid functional Chandrima Chakravarty
2018/03/02 [SIESTA-L] Structure Relaxation Fazle Subhan
2018/03/01 Re: [SIESTA-L] Transmission Pathways Mourad Boutahir
2018/02/28 Re: [SIESTA-L] Transmission Pathways Nick Papior
2018/02/28 Re: [SIESTA-L] Transmission Channels Nick Papior
2018/02/28 Re: [SIESTA-L] Projected Transmissions Fazle Subhan
2018/02/27 Re: [SIESTA-L] Transmission Channels Fazle Subhan
2018/02/27 [SIESTA-L] Transmission Pathways Fazle Subhan
2018/02/27 Re: [SIESTA-L] Projected Transmissions Nick Papior
2018/02/26 Re: [SIESTA-L] Transmission Channels Nick Papior
2018/02/26 [SIESTA-L] Projected Transmissions Fazle Subhan
2018/02/25 Re: [SIESTA-L] Transmission Channels Fazle Subhan
2018/02/20 Re: [SIESTA-L] Transmission Channels Nick Papior
2018/02/18 Re: [SIESTA-L] Fixing some atoms in SIESTA sullah
2018/02/17 Re: [SIESTA-L] Fixing some atoms in SIESTA Fazle Subhan
2018/02/17 Re: [SIESTA-L] Fixing some atoms in SIESTA Nick Papior
2018/02/17 [SIESTA-L] Transmission Channels Fazle Subhan
2018/02/17 [SIESTA-L] Structure Relaxation Fazle Subhan
2018/02/17 Re: [SIESTA-L] Fixing some atoms in SIESTA Karolina Milowska
2018/02/16 [SIESTA-L] Fixing some atoms in SIESTA sullah
2018/02/14 [SIESTA-L] System Evolution under an Applied Electric Field Rishi Sreedhar
2018/02/11 Re: [SIESTA-L] wsf.band.max problem maryam jamaati
2018/02/09 [SIESTA-L] convergence with respect to k mesh Sunetra Das
2018/02/09 Re: [SIESTA-L] Auxiliary supercell needs to be larger than naive one... Sunetra Das
2018/02/09 Re: [SIESTA-L] Problem in SCF convergence in spin polarized calculations Ananya Rajpoot
2018/02/08 Re: [SIESTA-L] Auxiliary supercell needs to be larger than naive one... Nick Papior
2018/02/08 Re: [SIESTA-L] compilation error in tbtrans using netcdf4 in siesta4.1b2 Nick Papior
2018/02/08 Re: [SIESTA-L] Mixing parameters for spin polarized calculation Nick Papior
2018/02/08 Re: [SIESTA-L] Problem in SCF convergence in spin polarized calculations Nick Papior
2018/02/08 Re: [SIESTA-L] Problem in SCF convergence in spin polarized calculations Andrei Postnikov
2018/02/07 [SIESTA-L] Auxiliary supercell needs to be larger than naive one... Sunetra Das
2018/02/07 [SIESTA-L] Problem in SCF convergence in spin polarized calculations Ananya Rajpoot
2018/02/07 [SIESTA-L] SCF convergence in spin polarized calculations Ananya Rajpoot
2018/02/06 [SIESTA-L] Fwd: How to set spin polarization variables Ananya Rajpoot
2018/02/06 [SIESTA-L] Mixing parameters for spin polarized calculation Riya Rogers
2018/02/06 [SIESTA-L] How to set spin polarization variables Ananya Rajpoot
2018/02/06 Re: [SIESTA-L] Band Structure and PDOS results not matching Suman Chowdhury
2018/02/06 Re: [SIESTA-L] wsf.band.max problem KAREEKUNNAN Afsal
2018/02/05 Re: [SIESTA-L] Band Structure and PDOS results not matching Nick Papior
2018/02/05 [SIESTA-L] compilation error in tbtrans using netcdf4 in siesta4.1b2 Dr. Mohan L. Verma
2018/02/05 Re: [SIESTA-L] wsf.band.max problem maryam jamaati
2018/02/04 Re: [SIESTA-L] Band Structure and PDOS results not matching Suman Chowdhury
2018/02/04 Re: [SIESTA-L] Bands at lower energies Sunetra Das
2018/02/03 Re: [SIESTA-L] Band Structure and PDOS results not matching Nick Papior
2018/02/02 Re: [SIESTA-L] Band Structure and PDOS results not matching Suman Chowdhury
2018/02/02 Re: [SIESTA-L] wsf.band.max problem KAREEKUNNAN Afsal
2018/02/02 Re: [SIESTA-L] Bands at lower energies Nick Papior
2018/02/02 Re: [SIESTA-L] Bands at lower energies I. Camps
2018/02/02 Re: [SIESTA-L] Bands at lower energies KAREEKUNNAN Afsal
2018/02/01 Re: [SIESTA-L] Band Structure and PDOS results not matching Nick Papior
2018/02/01 [SIESTA-L] Bands at lower energies Sunetra Das
2018/02/01 [SIESTA-L] wsf.band.max problem maryam jamaati
2018/02/01 Re: [SIESTA-L] mpirun run siesta Nick Papior
2018/02/01 [SIESTA-L] Zn pseodo error Masoud Ansarino
2018/01/31 Re: [SIESTA-L] Band Structure and PDOS results not matching Suman Chowdhury
2018/01/31 Re: [SIESTA-L] Band Structure and PDOS results not matching Suman Chowdhury
2018/01/31 Re: [SIESTA-L] mpirun run siesta 王亮
2018/01/31 Re: [SIESTA-L] mpirun run siesta 王亮
2018/01/31 Re: [SIESTA-L] mpirun run siesta 王亮
2018/01/30 Re: [SIESTA-L] mpirun run siesta Nick Papior
2018/01/29 [SIESTA-L] mpirun run siesta 王亮
2018/01/27 Re: [SIESTA-L] DFT-1/2 vs DFT-U berna uyanık
2018/01/27 Re: [SIESTA-L] DFT-1/2 vs DFT-U I. Camps
2018/01/26 Re: [SIESTA-L] DFT-1/2 vs DFT-U Julian Niño
2018/01/26 Re: [SIESTA-L] DFT-1/2 Leonardo Fonseca
2018/01/25 Re: [SIESTA-L] Band Structure and PDOS results not matching Nick Papior
2018/01/25 Re: [SIESTA-L] Band Structure and PDOS results not matching sauluck
2018/01/25 [SIESTA-L] DFT-1/2 Method berna uyanık
2018/01/25 Re: [SIESTA-L] DFT-1/2 I. Camps
2018/01/25 [SIESTA-L] SUBSCRIBE SIESTA-L Berna Uyanık berna uyanık
2018/01/25 Re: [SIESTA-L] DFT-1/2 Julian Niño
2018/01/25 Re: [SIESTA-L] DFT-1/2 Leonardo Fonseca
2018/01/25 [SIESTA-L] DFT-1/2 vs DFT-U berna uyanık
2018/01/24 [SIESTA-L] Band Structure and PDOS results not matching Suman Chowdhury
2018/01/24 Re: [SIESTA-L] Error using eigemchannels from inelastica maryam jamaati
2018/01/24 [SIESTA-L] DFT-1/2 berna uyanık
2018/01/23 Re: [SIESTA-L] Error using eigemchannels from inelastica Nick Papior
2018/01/23 Re: [SIESTA-L] kpoint in tbtran version 4-1 Nick Papior
2018/01/23 Re: [SIESTA-L] Error in installing tbtrans with netcdf4 support in cluster using intel compiler Ankita Joshi
2018/01/22 [SIESTA-L] Error using eigemchannels from inelastica maryam jamaati
2018/01/22 [SIESTA-L] kpoint in tbtran version 4-1 Zara Nosh
2018/01/22 Re: [SIESTA-L] Error in installing tbtrans with netcdf4 support in cluster using intel compiler Nick Papior
2018/01/21 [SIESTA-L] In and Tl GGA pseudopotentials Rachid Alili
2018/01/20 Re: [SIESTA-L] inelastic phonon effects on transport Zara Nosh
2018/01/20 Re: [SIESTA-L] Changing the crystal direction of Si Salvador Barraza-Lopez
2018/01/19 Re: [SIESTA-L] inelastic phonon effects on transport Nick Papior
2018/01/19 Re: [SIESTA-L] How to set ghost atoms in BSSE correction Bibhas Manna
2018/01/19 Re: [SIESTA-L] Error in installing tbtrans with netcdf4 support in cluster using intel compiler Nick Papior
2018/01/19 Re[2]: [SIESTA-L] Changing the crystal direction of Si aha102
2018/01/19 Re: [SIESTA-L] Changing the crystal direction of Si Salvador Barraza-Lopez
2018/01/19 Re: [SIESTA-L] Changing the crystal direction of Si Salvador Barraza-Lopez
2018/01/19 Re[2]: [SIESTA-L] Changing the crystal direction of Si aha102
2018/01/18 Re: [SIESTA-L] Changing the crystal direction of Si Andrei Postnikov
2018/01/18 Re: [SIESTA-L] Changing the crystal direction of Si I. Camps
2018/01/18 Re: [SIESTA-L] Changing the crystal direction of Si Sainz De La Maza Cantero, Marta
2018/01/18 [SIESTA-L] Changing the crystal direction of Si aha102
2018/01/18 [SIESTA-L] Error in installing tbtrans with netcdf4 support in cluster using intel compiler Ankita Joshi
2018/01/18 Re: [SIESTA-L] How to set ghost atoms in BSSE correction I. Camps
2018/01/18 [SIESTA-L] inelastic phonon effects on transport Zara Nosh
2018/01/17 [SIESTA-L] Changing the crystal direction of Si Alaa Akkoush (Student)
2018/01/17 [SIESTA-L] How to set ghost atoms in BSSE correction Bibhas Manna
2018/01/16 [SIESTA-L] In and Tl GGA Pseudos Rachid Alili
2018/01/15 [SIESTA-L] In and Tl GGA pseudopotentials Rachid Alili
2018/01/15 [SIESTA-L] How can I change the crystal direction when using Siesta? Alaa Akkoush (Student)
2018/01/10 Re: [SIESTA-L] Structural Relaxation Nick Papior
2018/01/10 Re: [SIESTA-L] Structural Relaxation Bibhas Manna