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q: charges? basis sets/potentials validation?Grigory218822006/11/18 22:59
by Grigory
Bug fixed in OpenMX3.1, No.2T.Ozaki016212006/11/17 00:44
by T.Ozaki
Initial spin charges question?Dung Tien220752006/11/15 22:38
by Dung Tien
Bug fixed in OpenMX3.1, No.1T.Ozaki016322006/11/13 15:45
by T.Ozaki
install problem for 3.1 versonLiger Chen115692006/11/10 18:26
by Liger Chen
Does B-Bop do DOS?Vasilii Artyukhov214982006/11/09 22:04
by Vasilii Artyukhov
the molecular orbitalXinyuan Zhang120242006/11/09 11:15
by T.Ozaki
DOS of hcp Gd metalDr. Xubo Liu023072006/11/06 03:34
by Dr. Xubo Liu
Magnetic moment in cubic SrRuO3JessK341982006/11/05 00:05
by T.Ozaki
Memory UsageKevin219012006/11/04 06:41
by JessK
non convergence calculation problem!sabri122542006/11/04 02:12
by T.Ozaki
OpenMX Ver.3.1 availableT.Ozaki014572006/11/04 01:48
by T.Ozaki
Velocities in MDPavel114312006/11/04 01:28
by T.Ozaki
DosMain question.Liger Chen116832006/11/04 01:26
by T.Ozaki
error while testing Methane.datKevin218882006/11/03 20:40
by Kevin
Polarization in BaTiO3jessK130532006/11/01 10:15
by T.Ozaki
LDA+U energyjessK219962006/10/18 23:06
by jessK
runtest problem in opteronh. Jeong116292006/10/12 23:56
by T.Ozaki
is it possible for plus diffuse orbital ?Liger Chen117832006/10/12 23:01
by T.Ozaki
Binding energy calculationK. Bart125572006/10/12 22:52
by T.Ozaki
error message ...p4_error: interrupt SIGSEGV: 11..Liger Chen177422006/10/12 22:36
by T.Ozaki
Transition state search on OpenMXDung Tien219182006/10/04 11:10
by Dung Tien
STM imagePavel115792006/10/03 23:23
by T.Ozaki
Segmentation Fault for openMX MPI version 3.0KC424812006/09/29 14:31
by T.Ozaki
Dr.Hyuk Soon Choi219452006/09/29 09:31
by Hyuk Soon Choi
scf converge problem Liger Chen222402006/09/26 16:01
by Liger Chen
Hard to converge for geometric optimizer.Xinyuan Zhang714742006/09/21 16:56
by Xinyuan
what is the meaning of the error warning ?Liger Cheb339232006/09/20 14:56
by Liger Chen
Calculation of Work Function with Yukihiro Okuno126072006/09/19 10:53
by T.Ozaki
B-BOPXinyuan Zhang118262006/09/19 10:41
by T.Ozaki
Help with NVT Si Bulk SimulationRavi M220082006/08/25 12:51
by Ravi M
Misschristine115382006/08/18 12:58
by T.Ozaki
memory issuesjessK116332006/08/11 09:10
by T.Ozaki
A unknown problemXinyuan Zhang116552006/08/11 09:02
by T.Ozaki
Tetrahedron method applicabilityVasilii Artyukhov119052006/08/11 09:00
by T.Ozaki
A question about basis setPeter Winey222622006/07/10 23:49
by Peter Winey
Forces and symmetryPeter Winey221822006/07/10 23:28
by Peter Winey
Database (2006) of PAO and VPS availableT.Ozaki219582006/06/30 23:54
by Peter Winey
Installation - undefined referenceJan122612006/06/27 23:11
by Jan
How to fix the fault of running large-scale systemGn. Plott116912006/06/16 11:32
by T.Ozaki
magnetic momentjessK319782006/06/14 11:30
by T.Ozaki
adpack1.8: first deriv. discont. of excited statesM. Gusso118072006/06/13 22:10
by T.Ozaki
adpack1.8: high grid.xmax parameterM. Gusso118902006/06/13 22:02
by T.Ozaki
Band, Cluster, and DC ?F Li117272006/06/13 21:50
by T.Ozaki
LBFGS optimizerjessK117202006/06/06 20:34
by T.Ozaki
K-point gridjessK119872006/06/06 10:46
by T.Ozaki
OpenMX in surface?JinLong116232006/05/31 18:29
by T.Ozaki
Running jobs in a directory other than "work"Peter Winey325822006/05/24 11:15
by T.Ozaki
Exception error with big systemJohn Tse117542006/05/19 11:52
by T.Ozaki
parallel questionsJeason122802006/05/12 10:44
by T.Ozaki

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