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