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List of Threads Topics Author Replies Views Last Modified Non-equlibrium Adalicia 1 577 2016/11/18 18:30 by Artem Pulkin Initial Charge Densities Clarke 9 783 2016/11/15 15:29 by Clarke Convergence of NEGF for defective GNRs S Dechamps 6 899 2016/11/10 20:07 by S Dechamps how to match the DOS of NEGF with The transmission Pavan choudary 3 562 2016/11/09 17:28 by Pavan choudary Patch 3.8.1 to OpenMX Ver. 3.8 T. Ozaki 0 562 2016/10/21 15:50 by T. Ozaki Manual setting of occupation numbers Jan-Niclas 8 709 2016/10/20 17:22 by T. Ozaki Implementation of EDM using the continued fraction representation of Fermi function Ari Ojanperä 1 590 2016/10/18 00:07 by T. Ozaki Problem about Mulliken population analysis duan 2 689 2016/10/16 23:12 by T. Ozaki Analysis of NEGF results Rohit 2 545 2016/10/16 22:31 by TO PAOs for anions Daniil 1 568 2016/10/16 22:09 by T. Ozaki DIIS geometry optimization Nikhil 2 704 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. 2 636 2016/10/16 21:45 by T. Ozaki alignment of band structure with vaccum level Renato Borges Pontes 2 550 2016/10/16 19:03 by T. Ozaki magnetic anisotropy energy calculated seems wrong! Shekoufe Khosravi 2 648 2016/10/16 19:01 by T. Ozaki error on make TranMain with Ubuntu 14.04 LTS Diego 0 625 2016/10/05 07:00 by Diego error on make DosMain with Ubuntu 14.04 LTS Diego 0 586 2016/10/05 06:57 by Diego How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS? Diego Castillo V. 0 518 2016/10/04 03:27 by Diego Castillo V. NEGF Calculation Hanging Peter 2 546 2016/10/03 20:21 by Peter Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS) Diego Castillo 0 1121 2016/09/29 03:25 by Diego Castillo Installation Problem OpenMX 3.7 Diego Castillo 2 730 2016/09/29 02:59 by Diego Castillo Convergence Issue: Very High Value of Uele Nikhil 2 776 2016/09/22 13:40 by Nikhil installation error 3.8 pavan choudary 0 491 2016/09/20 16:58 by pavan choudary Installation 3.8 Krishna 2 630 2016/09/10 19:06 by Krishna Exchange coupling parameter program (jx) Joao Amaral 6 1090 2016/09/06 16:58 by Hongkee Yoon Error points in Band Structure of SrVO3 Priya Dey 1 624 2016/09/04 21:05 by T. Ozaki MBJLDA Sehoon Oh 1 638 2016/09/02 12:06 by T. Ozaki Can openMX simulate few layer graphene John Chen 1 651 2016/08/30 18:15 by Artem Pulkin the question of bandgap and covalent bond John Chen 4 669 2016/08/30 17:18 by John Chen Question about setting up angles in non-collinear DFT Hung-Yu Yang 1 518 2016/08/30 16:30 by T. Ozaki scf band calculations for different number of layers Rohit 3 566 2016/08/29 14:39 by T. Ozaki openmx3.7 error zahra 1 694 2016/08/25 23:10 by Riemann openmx3.8 error zahra 0 599 2016/08/25 21:38 by zahra There is a rigid shift toward negative energy in the band structure of MoS2 monolayer Nadia Salami 1 656 2016/08/22 12:50 by T. Ozaki Release of OpenMX Viewer Ver. 1.0 T. Ozaki 0 749 2016/08/20 01:34 by T. Ozaki Projected band structure Riemann 6 1297 2016/08/19 15:45 by Riemann Projected Bandstructure with Unfolding Method Riemann 6 1083 2016/08/17 03:44 by Riemann Error in making DosMain saeid amjadian 0 529 2016/08/12 21:42 by saeid amjadian question regarding to plot up-spin and down-spin bands in noncollinear DFT calculations Nadia Salami 1 681 2016/08/12 18:36 by T. Ozaki STM by WSXM Lida 3 1082 2016/08/11 22:01 by T. Ozaki Software for Density of state files ? Rohit 1 540 2016/08/10 16:01 by T. Ozaki OpenMX3.8 installation problem Yohei Ibe 2 790 2016/08/05 11:24 by Yohei Ibe converting band file to GNUBAND,BANDDAT1 file RG 3 653 2016/08/03 15:08 by T. Ozaki version of intel compiler Sung 1 625 2016/08/03 13:31 by T. Ozaki Reduce timing of NEGF for Al Hiroya Nakata 1 711 2016/08/02 17:15 by Artem Pulkin problems with plotting the band structure. Rohit Goel 1 750 2016/07/29 16:23 by Rohit Goel Band unfolding for supercells with additional atoms Nikolai Zaitsev 2 747 2016/07/28 21:25 by Nikolai Zaitsev Error in NEGF Keshav Raheja 2 740 2016/07/28 02:00 by Keshav Raheja Incomplete NEGF run with correct transmission vs energy result Vipin Kumar 3 810 2016/07/26 19:42 by Artem Pulkin Band Structure of Black phosphorous Rohit Goel 2 687 2016/07/22 11:59 by Rohit Goel PAOs of lead atoms can overlap only to the next nearest region Vipin Kumar 10 810 2016/07/18 20:18 by Vipin Kumar

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