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List of Threads Topics Author Replies Views Last Modified Projected band structure Riemann 6 434 2016/08/19 15:45 by Riemann Projected Bandstructure with Unfolding Method Riemann 6 403 2016/08/17 03:44 by Riemann Error in making DosMain saeid amjadian 0 234 2016/08/12 21:42 by saeid amjadian question regarding to plot up-spin and down-spin bands in noncollinear DFT calculations Nadia Salami 1 282 2016/08/12 18:36 by T. Ozaki STM by WSXM Lida 3 553 2016/08/11 22:01 by T. Ozaki Software for Density of state files ? Rohit 1 250 2016/08/10 16:01 by T. Ozaki OpenMX3.8 installation problem Yohei Ibe 2 315 2016/08/05 11:24 by Yohei Ibe converting band file to GNUBAND,BANDDAT1 file RG 3 236 2016/08/03 15:08 by T. Ozaki version of intel compiler Sung 1 288 2016/08/03 13:31 by T. Ozaki Reduce timing of NEGF for Al Hiroya Nakata 1 251 2016/08/02 17:15 by Artem Pulkin problems with plotting the band structure. Rohit Goel 1 272 2016/07/29 16:23 by Rohit Goel Band unfolding for supercells with additional atoms Nikolai Zaitsev 2 314 2016/07/28 21:25 by Nikolai Zaitsev Error in NEGF Keshav Raheja 2 274 2016/07/28 02:00 by Keshav Raheja Incomplete NEGF run with correct transmission vs energy result Vipin Kumar 3 310 2016/07/26 19:42 by Artem Pulkin Band Structure of Black phosphorous Rohit Goel 2 308 2016/07/22 11:59 by Rohit Goel PAOs of lead atoms can overlap only to the next nearest region Vipin Kumar 10 343 2016/07/18 20:18 by Vipin Kumar Do the molecular orbitals obtained by openmx include the factor exp(ikr)? Xiangyang Peng 2 274 2016/07/14 18:25 by Xiangyang Peng Phosphorene Real Space Hmiltonian Riemann 3 429 2016/07/11 22:11 by Artem Pulkin openmx 3.8 -runtest vs. openmx 3.7.10 -runtest PR 2 321 2016/07/07 23:34 by PR runtest error Kazume NISHIDATE 2 339 2016/07/04 10:04 by T. Ozaki Memory control in OpenMX Artem Pulkin 1 265 2016/07/04 09:58 by T. Ozaki About MD.Fixed.XYZ Guilherme Maia 2 291 2016/06/26 05:35 by Guilherme Maia MP vs regular k-mesh - difference in band structure Eike F. Schwier 2 308 2016/06/23 14:21 by Eike F. Schwier How to deal with this error Linus.Xing 1 257 2016/06/23 13:44 by T. Ozaki is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8 Linus.Xing 1 279 2016/06/23 13:39 by T. Ozaki Exchange field Riemann 1 264 2016/06/23 13:37 by T. Ozaki Different values for the Polarization for the same system!! Guilherme Maia 1 294 2016/06/23 13:21 by T. Ozaki graphen Smart 3 806 2016/06/13 11:47 by Jane The question about the output file of System.Name.md Xiangyang Peng 4 301 2016/06/08 01:10 by Xiangyang Peng Openmx and mobilities and effective masses Mosahhar 1 276 2016/06/05 11:25 by T. Ozaki units in the band plots PR 1 280 2016/06/05 11:22 by T. Ozaki Using openmx with external pseudopotentials Daniil 13 520 2016/06/05 00:11 by Daniil Errors in installation of OpenMx3.7 and OpenMx3.8 Hawson 5 598 2016/05/19 14:52 by T. Ozaki How to calculate LaMnO3? Hiroya Nakata 5 361 2016/05/17 23:12 by hiroya Question about Geometry Optimization Eike F. Schwier 5 977 2016/05/16 19:35 by Eike F. Schwier gcc: error Asadolla 2 381 2016/05/11 14:32 by asad Release of OpenMX Ver. 3.8 T. Ozaki 5 619 2016/05/06 10:56 by Mitsuaki Kawamura Include spin orbit coupling but turn off magnetism Hung-Yu Yang 4 417 2016/04/27 21:51 by Hung-Yu Yang NPT molecular dynamics Wei Lai 1 302 2016/04/20 19:06 by T. Ozaki Compilation error version 3.8 Mauro Sgroi 2 433 2016/04/19 18:23 by Mauro Sgroi bug in the ESM module Yun-Peng Wang 1 2954 2016/04/15 14:08 by T. Ohwaki why the change in result for the transport calculation for negf-8zgnr-0.3 when done with openmx3.5 Pavan choudary 3 345 2016/04/08 18:29 by T. Ozaki First Installation Error of Openmx-3.8 Riemann 2 416 2016/04/05 05:49 by Riemann Strangely Small Spin Moment in Material with Strong SOC Keenan 1 294 2016/04/03 20:15 by T. Ozaki Polarization by Berry's phase Guilherme Maia 2 344 2016/03/29 02:19 by Guilherme Maia How to unify optimized PAO files? Yi Wang 2 356 2016/03/15 16:16 by Yi Wang Convergence problem for NEGF self consistent loop of Fe/MgO/Fe system Hiroshi Tsukahara 2 616 2016/03/15 13:56 by T.Ozaki how to know about stable structure sanjeev 1 373 2016/03/15 13:35 by T.Ozaki Young’s modulus smart 1 337 2016/03/15 13:28 by T.Ozaki Transport calculation not converging Samuel 2 374 2016/03/10 18:56 by Artem Pulkin

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