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List of Threads Topics Author Replies Views Last Modified charge,spin (current densities) Pavan choudary 1 628 2016/12/26 21:55 by Mitsuaki Kawamura IV curve Graphene Mia 1 823 2016/12/26 17:55 by T. Ozaki crystallographic directions Julio Aguiar 1 541 2016/12/26 17:32 by T. Ozaki about MAE Luca 1 512 2016/12/26 17:26 by T. Ozaki Error Saeid Amjadian 0 474 2016/11/20 12:37 by Saeid Amjadian Non-equlibrium Adalicia 1 595 2016/11/18 18:30 by Artem Pulkin Initial Charge Densities Clarke 9 836 2016/11/15 15:29 by Clarke Convergence of NEGF for defective GNRs S Dechamps 6 923 2016/11/10 20:07 by S Dechamps how to match the DOS of NEGF with The transmission Pavan choudary 3 584 2016/11/09 17:28 by Pavan choudary Patch 3.8.1 to OpenMX Ver. 3.8 T. Ozaki 0 580 2016/10/21 15:50 by T. Ozaki Manual setting of occupation numbers Jan-Niclas 8 730 2016/10/20 17:22 by T. Ozaki Implementation of EDM using the continued fraction representation of Fermi function Ari Ojanperä 1 609 2016/10/18 00:07 by T. Ozaki Problem about Mulliken population analysis duan 2 714 2016/10/16 23:12 by T. Ozaki Analysis of NEGF results Rohit 2 567 2016/10/16 22:31 by TO PAOs for anions Daniil 1 586 2016/10/16 22:09 by T. Ozaki DIIS geometry optimization Nikhil 2 722 2016/10/16 21:55 by T. Ozaki Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S. 2 670 2016/10/16 21:45 by T. Ozaki alignment of band structure with vaccum level Renato Borges Pontes 2 568 2016/10/16 19:03 by T. Ozaki magnetic anisotropy energy calculated seems wrong! Shekoufe Khosravi 2 674 2016/10/16 19:01 by T. Ozaki error on make TranMain with Ubuntu 14.04 LTS Diego 0 649 2016/10/05 07:00 by Diego error on make DosMain with Ubuntu 14.04 LTS Diego 0 611 2016/10/05 06:57 by Diego How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS? Diego Castillo V. 0 543 2016/10/04 03:27 by Diego Castillo V. NEGF Calculation Hanging Peter 2 569 2016/10/03 20:21 by Peter Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS) Diego Castillo 0 1185 2016/09/29 03:25 by Diego Castillo Installation Problem OpenMX 3.7 Diego Castillo 2 752 2016/09/29 02:59 by Diego Castillo Convergence Issue: Very High Value of Uele Nikhil 2 797 2016/09/22 13:40 by Nikhil installation error 3.8 pavan choudary 0 514 2016/09/20 16:58 by pavan choudary Installation 3.8 Krishna 2 655 2016/09/10 19:06 by Krishna Exchange coupling parameter program (jx) Joao Amaral 6 1146 2016/09/06 16:58 by Hongkee Yoon Error points in Band Structure of SrVO3 Priya Dey 1 643 2016/09/04 21:05 by T. Ozaki MBJLDA Sehoon Oh 1 674 2016/09/02 12:06 by T. Ozaki Can openMX simulate few layer graphene John Chen 1 678 2016/08/30 18:15 by Artem Pulkin the question of bandgap and covalent bond John Chen 4 685 2016/08/30 17:18 by John Chen Question about setting up angles in non-collinear DFT Hung-Yu Yang 1 536 2016/08/30 16:30 by T. Ozaki scf band calculations for different number of layers Rohit 3 590 2016/08/29 14:39 by T. Ozaki openmx3.7 error zahra 1 735 2016/08/25 23:10 by Riemann openmx3.8 error zahra 0 617 2016/08/25 21:38 by zahra There is a rigid shift toward negative energy in the band structure of MoS2 monolayer Nadia Salami 1 676 2016/08/22 12:50 by T. Ozaki Release of OpenMX Viewer Ver. 1.0 T. Ozaki 0 788 2016/08/20 01:34 by T. Ozaki Projected band structure Riemann 6 1389 2016/08/19 15:45 by Riemann Projected Bandstructure with Unfolding Method Riemann 6 1123 2016/08/17 03:44 by Riemann Error in making DosMain saeid amjadian 0 554 2016/08/12 21:42 by saeid amjadian question regarding to plot up-spin and down-spin bands in noncollinear DFT calculations Nadia Salami 1 709 2016/08/12 18:36 by T. Ozaki STM by WSXM Lida 3 1114 2016/08/11 22:01 by T. Ozaki Software for Density of state files ? Rohit 1 557 2016/08/10 16:01 by T. Ozaki OpenMX3.8 installation problem Yohei Ibe 2 814 2016/08/05 11:24 by Yohei Ibe converting band file to GNUBAND,BANDDAT1 file RG 3 676 2016/08/03 15:08 by T. Ozaki version of intel compiler Sung 1 642 2016/08/03 13:31 by T. Ozaki Reduce timing of NEGF for Al Hiroya Nakata 1 729 2016/08/02 17:15 by Artem Pulkin problems with plotting the band structure. Rohit Goel 1 771 2016/07/29 16:23 by Rohit Goel

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