OpenMX Forum
New Thread | Return Home | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
segmentation fault during <logical truncation>Ruibin Liu08662013/04/18 10:26
by Ruibin Liu
question on FeO_NC.dat input filesanjeev010932013/03/25 17:15
by sanjeev
How to visualize charge density using XcrysdensJoao Amaral223132013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso09372013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami09242013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park016952013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu213442013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe011482013/01/18 23:36
by zhe
Memory problem?pesonkr012492013/01/18 12:24
by pesonkr
optical conductivityPavel Serba315112013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima013002013/01/11 02:53
by Nima
installationZahra119882013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito218412012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin126132012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser08812012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi010812012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira015422012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz317642012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram014262012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik09302012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender122692012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan08852012/11/07 05:53
by kannan
Input file for BismuthMehmood09222012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin09142012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH211532012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso213742012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin011392012/10/15 04:36
by Jahanbin
Installation problemNourdine 1268802012/09/27 11:31
by Anant
NEGF calculation using restartP010102012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo210912012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha132852012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang114482012/09/23 17:00
by wang
band structure of YNIDRIS113492012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak417252012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 213972012/09/10 21:29
by P
same PAOsJulio Aguiar412262012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak221712012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev110372012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma117032012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma118132012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev114412012/08/28 16:16
by T.Ozaki
Ca lattice constantSang221422012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya214402012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar214822012/07/25 05:51
by Mosahhar
Calculation timeDmitry113242012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov110192012/07/21 09:40
by T.Ozaki
NEGFLida111992012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov111462012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki015232012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan119692012/07/03 13:29
by Anita

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18]


Open Thread    Locked Thread    Alarm(More than 90 replies)   Message from Administrator


- Web Patio -