General Topics

Announcement's	Replies	Views	Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	13620	Dec 14th 2:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
Molecules breaking during geometry scan	0	1005	May 28th 10:50 am Mkelley
The program automatically added hydrogens when using symmetry	5	2159	May 26th 12:51 pm Edoapra
bug after r26901: rotational entropy missing from output	1	1523	May 26th 10:11 am Edoapra
electrostatic potential in the array of points	1	1530	May 21st 8:13 am P99
Partial charges on the atom	9	2275	May 18th 10:52 am Sean
String error always at the nbead 13: 'movecs_converged: error reading file'	8	2078	May 12th 1:05 pm Pdpatel
Non Relativistic LANL2DZ	0	1578	May 11th 4:45 am Hde
Becke charges	1	1423	May 7th 11:17 am Pdpatel
2D surface (slab) geometry calculation example	0	1456	May 3rd 6:33 pm Tholme
Nwpw band dplot	0	1072	Apr 27th 4:52 am Btam125
SODFT ZORA	2	2555	Apr 22nd 12:09 pm Erikm
Dplot DGEMM parameter error	2	1393	Apr 15th 3:06 am Btam125
ARMCI DASSERT fail	4	1950	Apr 15th 3:01 am Btam125
RT-TDDFT restart	2	1565	Apr 13th 4:02 pm Extremis
.cube Files (Output for Dplot)	10	3857	Apr 3rd 9:21 am Sean
ccCA Energies	0	1333	Apr 1st 3:05 pm Skirkby
Slow frequency calculation	2	3079	Apr 1st 11:32 am Mernst
Error during dplot calculations	1	1519	Mar 30th 9:27 am Edoapra
Calculate Properties Only from a Previously Converged Set of Existing Files	1	1290	Mar 25th 10:47 am Edoapra
String restart error	0	1212	Mar 20th 1:58 pm Pdpatel
DFTB-D in nwchem	2	4159	Mar 16th 3:14 am Iresh
Single uranium atom simulation using SARC-ZORA basis	0	1821	Mar 15th 1:04 pm Alexxx
compilation issue: Nwchem-dev.revision26871-src.2015-02-24.tar	2	2179	Mar 10th 2:05 pm Anup9802
Output wavefunction to cubefiles	2	2049	Mar 9th 9:02 pm Jes060
How to write input file when I want to use OP method with NWCHEM? Can anyone give me a detailed	2	1652	Mar 7th 7:16 am Ezequiel

Forum >> NWChem's corner >> General Topics

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