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Topics Author Replies Views Last Modified
OpenMX3.8 installation problemYohei Ibe24382016/08/05 11:24
by Yohei Ibe
converting band file to GNUBAND,BANDDAT1 fileRG33542016/08/03 15:08
by T. Ozaki
version of intel compilerSung13942016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for AlHiroya Nakata13772016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.Rohit Goel14032016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atomsNikolai Zaitsev24522016/07/28 21:25
by Nikolai Zaitsev
Error in NEGFKeshav Raheja23962016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy resultVipin Kumar34422016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorousRohit Goel24512016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest regionVipin Kumar104912016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng23972016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann35922016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR24492016/07/07 23:34
by PR
runtest errorKazume NISHIDATE24592016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin13782016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia24052016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier24292016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing13552016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing13892016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann13702016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia14022016/06/23 13:21
by T. Ozaki
graphenSmart39932016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng44232016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar13532016/06/05 11:25
by T. Ozaki
units in the band plotsPR13982016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil137052016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson57462016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata54922016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier511382016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla25202016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki57922016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang45512016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai13992016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi25622016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang132252016/04/15 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 choudary34512016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8Riemann25232016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOCKeenan13992016/04/03 20:15
by T. Ozaki
Polarization by Berry's phaseGuilherme Maia24692016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?Yi Wang24792016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe systemHiroshi Tsukahara27612016/03/15 13:56
by T.Ozaki
how to know about stable structuresanjeev14732016/03/15 13:35
by T.Ozaki
Young’s modulussmart14302016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel25322016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung15262016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann24612016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang14892016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang13662016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso06542015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo26122015/12/18 00:37
by Bingcheng Luo

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