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Topics Author Replies Views Last Modified
version of intel compilerSung113112016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for AlHiroya Nakata115002016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.Rohit Goel117462016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atomsNikolai Zaitsev216102016/07/28 21:25
by Nikolai Zaitsev
Error in NEGFKeshav Raheja217202016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy resultVipin Kumar319012016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorousRohit Goel214522016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest regionVipin Kumar1019172016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng29172016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann318242016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR216852016/07/07 23:34
by PR
runtest errorKazume NISHIDATE220212016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin114812016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia216182016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier216492016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing113822016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing114712016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann116072016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia113662016/06/23 13:21
by T. Ozaki
graphenSmart333692016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng416082016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar113002016/06/05 11:25
by T. Ozaki
units in the band plotsPR113932016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil1323402016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson5105782016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata515702016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier526862016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla218072016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki520352016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang421692016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai114332016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi218822016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang142582016/04/15 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 choudary315382016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8Riemann217782016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOCKeenan114662016/04/03 20:15
by T. Ozaki
Polarization by Berry's phaseGuilherme Maia214942016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?Yi Wang214432016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe systemHiroshi Tsukahara221232016/03/15 13:56
by T.Ozaki
how to know about stable structuresanjeev114522016/03/15 13:35
by T.Ozaki
Young’s modulussmart113772016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel216432016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung114982016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann215292016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang115102016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang113582016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso018012015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo216912015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 218862015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek114902015/12/09 21:26
by Artem Pulkin

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