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List of Threads Topics Author Replies Views Last Modified Implementation of EDM using the continued fraction representation of Fermi function Ari Ojanperä 1 551 2016/10/18 00:07 by T. Ozaki Problem about Mulliken population analysis duan 2 649 2016/10/16 23:12 by T. Ozaki Analysis of NEGF results Rohit 2 511 2016/10/16 22:31 by TO PAOs for anions Daniil 1 537 2016/10/16 22:09 by T. Ozaki DIIS geometry optimization Nikhil 2 663 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. 2 597 2016/10/16 21:45 by T. Ozaki alignment of band structure with vaccum level Renato Borges Pontes 2 519 2016/10/16 19:03 by T. Ozaki magnetic anisotropy energy calculated seems wrong! Shekoufe Khosravi 2 607 2016/10/16 19:01 by T. Ozaki error on make TranMain with Ubuntu 14.04 LTS Diego 0 587 2016/10/05 07:00 by Diego error on make DosMain with Ubuntu 14.04 LTS Diego 0 550 2016/10/05 06:57 by Diego How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS? Diego Castillo V. 0 488 2016/10/04 03:27 by Diego Castillo V. NEGF Calculation Hanging Peter 2 514 2016/10/03 20:21 by Peter Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS) Diego Castillo 0 1027 2016/09/29 03:25 by Diego Castillo Installation Problem OpenMX 3.7 Diego Castillo 2 694 2016/09/29 02:59 by Diego Castillo Convergence Issue: Very High Value of Uele Nikhil 2 729 2016/09/22 13:40 by Nikhil installation error 3.8 pavan choudary 0 456 2016/09/20 16:58 by pavan choudary Installation 3.8 Krishna 2 599 2016/09/10 19:06 by Krishna Exchange coupling parameter program (jx) Joao Amaral 6 1040 2016/09/06 16:58 by Hongkee Yoon Error points in Band Structure of SrVO3 Priya Dey 1 583 2016/09/04 21:05 by T. Ozaki MBJLDA Sehoon Oh 1 574 2016/09/02 12:06 by T. Ozaki Can openMX simulate few layer graphene John Chen 1 616 2016/08/30 18:15 by Artem Pulkin the question of bandgap and covalent bond John Chen 4 630 2016/08/30 17:18 by John Chen Question about setting up angles in non-collinear DFT Hung-Yu Yang 1 492 2016/08/30 16:30 by T. Ozaki scf band calculations for different number of layers Rohit 3 545 2016/08/29 14:39 by T. Ozaki openmx3.7 error zahra 1 646 2016/08/25 23:10 by Riemann openmx3.8 error zahra 0 562 2016/08/25 21:38 by zahra There is a rigid shift toward negative energy in the band structure of MoS2 monolayer Nadia Salami 1 622 2016/08/22 12:50 by T. Ozaki Release of OpenMX Viewer Ver. 1.0 T. Ozaki 0 700 2016/08/20 01:34 by T. Ozaki Projected band structure Riemann 6 1217 2016/08/19 15:45 by Riemann Projected Bandstructure with Unfolding Method Riemann 6 1025 2016/08/17 03:44 by Riemann Error in making DosMain saeid amjadian 0 506 2016/08/12 21:42 by saeid amjadian question regarding to plot up-spin and down-spin bands in noncollinear DFT calculations Nadia Salami 1 645 2016/08/12 18:36 by T. Ozaki STM by WSXM Lida 3 1028 2016/08/11 22:01 by T. Ozaki Software for Density of state files ? Rohit 1 514 2016/08/10 16:01 by T. Ozaki OpenMX3.8 installation problem Yohei Ibe 2 753 2016/08/05 11:24 by Yohei Ibe converting band file to GNUBAND,BANDDAT1 file RG 3 621 2016/08/03 15:08 by T. Ozaki version of intel compiler Sung 1 601 2016/08/03 13:31 by T. Ozaki Reduce timing of NEGF for Al Hiroya Nakata 1 670 2016/08/02 17:15 by Artem Pulkin problems with plotting the band structure. Rohit Goel 1 709 2016/07/29 16:23 by Rohit Goel Band unfolding for supercells with additional atoms Nikolai Zaitsev 2 716 2016/07/28 21:25 by Nikolai Zaitsev Error in NEGF Keshav Raheja 2 702 2016/07/28 02:00 by Keshav Raheja Incomplete NEGF run with correct transmission vs energy result Vipin Kumar 3 778 2016/07/26 19:42 by Artem Pulkin Band Structure of Black phosphorous Rohit Goel 2 657 2016/07/22 11:59 by Rohit Goel PAOs of lead atoms can overlap only to the next nearest region Vipin Kumar 10 779 2016/07/18 20:18 by Vipin Kumar Do the molecular orbitals obtained by openmx include the factor exp(ikr)? Xiangyang Peng 2 123 2016/07/14 18:25 by Xiangyang Peng Phosphorene Real Space Hmiltonian Riemann 3 873 2016/07/11 22:11 by Artem Pulkin openmx 3.8 -runtest vs. openmx 3.7.10 -runtest PR 2 738 2016/07/07 23:34 by PR runtest error Kazume NISHIDATE 2 793 2016/07/04 10:04 by T. Ozaki Memory control in OpenMX Artem Pulkin 1 598 2016/07/04 09:58 by T. Ozaki About MD.Fixed.XYZ Guilherme Maia 2 601 2016/06/26 05:35 by Guilherme Maia

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