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CDDF Material TypeVipin Kumar11072024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar11232024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar11162024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari01242024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran01142024/05/13 12:40
by Kieran
How to compute electron localization functionJoel01162024/05/13 00:46
by Joel
Segmetation faultKieran01172024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu21282024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran11742024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia11252024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI11362024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi11442024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran01052024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran11342024/04/30 15:18
by Kieran
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack21882024/04/22 12:25
by jack
Struggling in performing automating running test.Maria21522024/04/15 19:28
by Maria
The meaning of overlap matrix position/momentum operatorLiang Liu01242024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar21192024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao22542024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric01992024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar52022024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo102702024/03/29 21:22
by Hiroyuki Kawai
Error in running openmxJays12582024/03/29 12:16
by Jays
Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.24202024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric01172024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran62552024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin01702024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin11662024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang43332024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO66592024/01/25 20:43
by Naoya Yamaguchi
error in visualize the STM image by WSxM 4.0 Beta 9.3 and WSxM 5.0 Develop 10.2zeinab.mrd47642024/01/18 22:07
by wkq
installation problem in Ubuntulee11852024/01/15 14:36
by lee
install problemsIr32142024/01/04 01:56
by Naoya Yamaguchi
Error in NEGF lead calculationP. Li02112023/12/20 17:50
by P. Li
Calculating exchange coupling using JxYaoShunWei02002023/12/16 21:05
by YaoShunWei
About charge dopingYSW01612023/12/14 19:33
by YSW
question geometry optimization doped siliconMarc01902023/12/11 19:34
by Marc
How to constrain the z axis ?YaoShunWei22612023/12/11 00:33
by YaoShunWei
Zeeman effect in openmxLINGZHI ZHANG01812023/12/08 15:59
by LINGZHI ZHANG
Problem with geometry optimizationLim32462023/11/26 01:16
by Lim
ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region.Tom01742023/11/21 14:32
by Tom
convergent problem during optimization with applying electric fieldTao01922023/11/20 16:58
by Tao
the orbital format in the HS.out file(the basis of KS element in matrix)LinTzuChing41952023/11/19 13:10
by LinTzuChing
About doping and electric fieldBudi01712023/11/16 17:41
by Budi
How to obtain PAO files generated with LDA.Hongwei Wang01722023/11/14 23:10
by Hongwei Wang
Smaller magnetic moments compared to VASPRiyajul Islam02632023/11/09 18:19
by Riyajul Islam
preparation of jx.config from scratchRiyajul Islam22642023/11/09 17:58
by Riyajul Islam
(FIXED) ERROR, key=geoopt.restart value=logicalkylin23052023/11/09 11:09
by T. Ozaki
OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gccchrinide12132023/11/05 14:24
by Naoya Yamaguchi
Charged Defects Formation Energy CorrectionMarc Tunica22492023/11/02 21:54
by Marc

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