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

Jump to page 1Prev 2512131415161718Next 25Last

Thread Title	Replies	Views	Last Action
Energy Minimization	1	1437	Jun 30th 3:41 pm Sean
z-matrix definition in the segment file for md	0	1216	Jun 22nd 11:44 pm Saeed1
difference between dft energy and dft optimize	1	1438	Jun 16th 8:43 am Sean
scf energy error	2	1440	Jun 11th 5:30 pm Aniruddha
Overlap and Hamiltonian Matrix	2	1274	Jun 10th 4:35 am Ph1130835
Density matrix and properties of specific excited state in TDDFT.	3	1793	Jun 6th 10:48 am Sean
Forum error: "The specified URL cannot be found "	2	5331	Jun 4th 11:56 pm Liviu
Crashes: linearly dependent basis set	2	1693	Jun 2nd 10:10 am Btam125
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

Forum >> NWChem's corner >> General Topics

Jump to page 1Prev 2512131415161718Next 25Last