ADF-LIST Archive
2005 by subject

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SubjectAuthor Date
"inconsistent merge of edges. HULL32"
 Marcel Swart 2005-02-10 10:40:59
 Stan van Gisbergen 2005-02-10 10:03:26
 Masroor Ahmad 2005-02-09 16:28:02
 Jean-Marie Mouesca 2005-02-08 13:49:57
(graphic) visualization of BAND data
 matteo.tusa_at_email.domain.hidden 2005-05-10 17:17:49
(graphic) visualization of BAND simulations
 matteo.tusa_at_email.domain.hidden 2005-05-10 17:28:58
11th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT2005)
 Pierre-Yves Morgantini 2005-04-01 15:39:07
A question about geometry optimization.
 Li, Jun 2005-05-26 18:24:38
 DCC9000 2005-05-26 17:55:13
about the scratch files
 Dai Zhenxiang 2005-10-20 07:23:35
ADF interface for AKIRA and SNF codes for frequency calculations
 Stan van Gisbergen 2005-07-25 13:28:09
ADF output format - MO contributions
 Erik van Lenthe 2005-11-03 12:30:01
 Kris Harris 2005-11-01 19:26:03
adf pvm dual Xeon shm Linux box
 Marcel Swart 2005-03-02 16:37:32
 Gustavo Mercier 2005-03-02 14:40:50
ADF UV-visible for open-shell systems
 Michael Seth 2005-10-30 20:26:56
 may abdelghani 2005-10-29 12:43:23
ADF version 2005 released - announcement from SCM
 Stan van Gisbergen 2005-08-26 16:04:16
 Stan van Gisbergen 2005-08-26 16:04:16
adf-list@scm.com
 Erik van Lenthe 2005-10-31 09:54:47
 Alvaro Trueba 2005-10-28 18:23:42
ADF2005 workshop at ACS meeting and seminar in Philadelphia
 Stan van Gisbergen 2005-08-22 10:09:56
adfview and TAPE41 file
 Marcel Swart 2005-09-30 09:01:58
 Hong Li 2005-09-29 22:28:48
AOMix-CDA: analysis of charge transfer and polarization
 S.I.Gorelsky 2005-06-10 02:10:38
B3LYP input
 Marcel Swart 2005-10-01 11:06:36
 Hong Li 2005-09-30 22:13:01
Bug fix release ADF2005.01b available for download
 Stan van Gisbergen 2005-10-18 12:27:01
Child node license problem
 Ilia Korobkov 2005-04-06 17:58:37
Child nodes license problem?
 Ilia Korobkov 2005-04-05 17:25:30
CIO ERROR
 Xia Liu 2005-07-04 23:42:56
computing UV-spectra
 Coussens, Betty 2005-05-02 12:04:45
Creating atoms with higher nuclear charge
 Espen Tangen 2005-04-12 17:19:22
difficulty in Pd cluster convergence
 Roar A. Olsen 2005-11-11 20:18:40
 Dylan Kershner 2005-11-11 18:49:02
dipole moment calculation
 Lefteris Danos 2005-11-24 13:23:45
Does ADF has LDA+U ?
 Alvin Chang 2005-11-08 16:08:12
 Erik van Lenthe 2005-11-08 11:46:03
 Alvin Chang 2005-11-08 02:15:49
Errors runing ADF using MPI on a cluster
 Y. Huang 2005-08-18 21:01:50
 Y. Huang 2005-08-17 17:42:16
 Y. Huang 2005-08-16 16:22:50
 Alexei Yakovlev 2005-08-16 10:09:26
 Y. Huang 2005-08-15 23:21:32
Followup on calculating (hyper-)polarizabilities
 Mike Drummond 2005-05-24 21:28:58
Forces
 car.cardenas 2005-01-04 15:10:09
fragment calculation from xray coordinates
 Marcel Swart 2005-09-19 09:24:04
 ldoerrer 2005-09-19 02:17:32
General ADF Question.
 Marcel Swart 2005-05-25 09:15:40
 Mathew M. Maye 2005-05-24 22:17:22
GENERAL INFORMATION ON LDA+U AND FULL THEORIES
 Alvin Chang 2005-11-26 04:37:59
 MANUEL PEREZ JIGATO 2005-11-24 16:36:31
Geometry optimation problem
 Marcel Swart 2005-01-27 17:00:56
 Wang Bingwu 2005-01-27 03:26:16
Geometry Optimisation and Single Point
 Alexei Yakovlev 2005-08-09 10:21:57
 Marcel Swart 2005-08-09 10:06:55
 Adam Sykes 2005-08-09 02:20:14
Geometry optimization of ferrous-porphyrin system failed: WARNING: BAD FIT
 Stan van Gisbergen 2005-08-23 10:24:11
 Yong Wang (王永) 2005-08-23 01:27:26
Hessian_CART and dummy atoms
 Gustavo Mercier 2005-11-13 15:43:58
hfexchange
 Marcel Swart 2005-06-01 21:52:43
 john mcgrady 2005-06-01 21:35:51
how does the "keeporbitals=nkeep" work ?
 Alvin Chang 2005-11-07 14:14:23
how to customize my ADF run environment.
 Alexei Yakovlev 2005-08-17 16:14:32
 Yong Wang (王永) 2005-08-17 02:02:57
How to get beta-spin the tape41-file
 Espen Tangen 2005-04-27 12:05:44
how to get the energy term from ADF outfile?
 Marcel Swart 2005-05-18 14:46:44
 YH KAN 2005-05-18 14:32:44
How to spesify a B3LYP singular point energy calculation?
 Marcel Swart 2005-10-30 20:48:30
 Yong Wang (王永) 2005-10-30 13:05:05
How to visualize molecular orbitals (MO) with gopenmol.
 Alvin Chang 2005-12-23 08:19:20
 Yong Wang (王永) 2005-12-23 08:02:02
How to visualize molecular orbitals (MO) with MOLEKEL
 Alvin Chang 2005-12-24 16:20:35
 Nuno A. G. Bandeira 2005-12-23 19:20:41
 Ilia Korobkov 2005-12-23 16:17:25
hybrid and meta-gga calculations
 Nuno A. G. Bandeira 2005-07-05 00:12:01
 Iftimie Radu Ion 2005-07-04 23:57:35
Mac OS X ADF-GUI module with beta
 Lindsay Roy 2005-03-16 00:10:50
Mac OSX SAOP functional error
 Lindsay 2005-03-04 04:31:33
Memory crash NMR/EPR
 Stan van Gisbergen 2005-09-16 11:30:32
 Henning Heiberg-Andersen 2005-09-16 11:26:10
New error, not seen before
 Alexei Yakovlev 2005-01-07 15:10:56
 Espen Tangen 2005-01-07 10:52:13
Non-aufbau SCF in geometry optimization
 Henning Heiberg-Andersen 2005-08-24 12:01:43
occupation problem
 DCC9000 2005-06-08 14:27:14
 PETIT-Laurence 2005-06-08 11:03:12
On Calculating Hyperpolarizabilities
 Stan van Gisbergen 2005-04-12 12:33:56
 Mike Drummond 2005-04-11 20:35:54
PBE in adf/band, multiplicity in adf/band
 Erik van Lenthe 2005-11-09 11:36:06
 Marcel Swart 2005-11-09 11:07:13
 Eugene Kadantsev 2005-11-08 20:45:52
PhD studentship
 john mcgrady 2005-03-31 17:27:57
plotting band structure in adf-band
 Stan van Gisbergen 2005-12-29 12:04:30
 Eugene Kadantsev 2005-12-23 19:45:49
Post-doc Advert
 Hazel Cox 2005-04-21 19:02:39
post-doct position
 Carles Bo 2005-09-19 13:47:58
postdoc position available at MSU, Bozeman, MT
 Robert K. Szilagyi 2005-04-20 22:29:12
Postdoctoral Position in Winnipeg, MB, Canada (search reopened)
 H. Georg Schreckenbach 2005-07-12 19:28:27
problems with udmpkf
 Alexei Yakovlev 2005-10-04 11:06:42
 ma馻nes 2005-10-04 09:35:31
problems with use of SICOEP
 Erik van Lenthe 2005-01-07 14:28:13
query about TDDFT with exotic potentials
 Marcel Swart 2005-12-23 12:07:53
 Alvin Chang 2005-12-23 07:52:49
 Alvin Chang 2005-12-23 07:37:51
 Nuno A. G. Bandeira 2005-12-21 16:25:22
 Marcel Swart 2005-12-21 16:01:44
 Nuno A. G. Bandeira 2005-12-21 15:46:07
 Nuno A. G. Bandeira 2005-12-21 15:31:39
 Marcel Swart 2005-12-21 15:30:32
 Nuno A. G. Bandeira 2005-12-21 15:05:11
 Alvin Chang 2005-12-21 07:26:44
 Nuno A. G. Bandeira 2005-12-20 17:39:42
question about relativistic effect
 Erik van Lenthe 2005-11-30 15:45:03
 Alvin Chang 2005-11-30 12:37:16
queue system in Pc
 Lefteris Danos 2005-11-23 13:11:13
Replacing hydrogen with an electron
 Michael C N Enever 2005-01-14 20:46:34
SAOP calculations
 Marcel Swart 2005-06-20 09:27:21
 Maximiliano Segala 2005-06-02 22:28:07
Single point calculation Error in ADF RUN
 Marcel Swart 2005-08-22 09:30:21
 Wang Bingwu 2005-08-21 12:07:29
Solutions with partially occupied orbitals
 Stan van Gisbergen 2005-08-23 10:34:04
 Yong Wang (王永) 2005-08-23 02:42:36
Some trouble with restart
 Espen Tangen 2005-06-27 10:45:27
Spin density plots
 Espen Tangen 2005-02-23 15:42:44
spin-orbit ZORA
 H. Georg Schreckenbach 2005-02-10 20:44:16
tape41 format
 Jochen Autschbach 2005-10-29 00:29:27
 manueldoss_at_email.domain.hidden 2005-10-28 10:44:22
Thermal Enthalpies
 anas.natsheh_at_email.domain.hidden 2005-12-21 09:30:10
total bond energies
 Els van Besien 2005-03-18 15:26:48
two question about fragment and corepotential respectively
 Alvin Chang 2005-11-17 14:18:07
updated AOMix-CDA
 S.I.Gorelsky 2005-02-01 18:20:35
Using DENSF
 Marcel Swart 2005-05-30 10:20:27
 DCC9000 2005-05-29 21:29:46
Visualization of ADF outputs
 Grigoriy Zhurko 2005-04-29 19:21:00
where could I get the wonderful ASF program?
 Alain Borel 2005-08-08 13:05:16
 Yong Wang (王永) 2005-08-08 12:12:50
Why TDDFT can calculate S1 excited state?
 Marcel Swart 2005-06-27 18:37:40
 Xia Liu 2005-06-27 18:28:23
Z-matrix error in IRC restarts
 Masroor Ahmad 2005-09-27 15:47:40
 Masroor Ahmad 2005-09-27 14:46:04

This archive was generated by hypermail 2.2.0 : 2006-11-02 07:00:03 CET