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 259101112131415Next 25Last

Thread Title	Replies	Views	Last Action
NWChem CML code	4	1232	Mar 14th 12:14 pm Drhaney
SMD Error	0	1130	Mar 11th 6:56 pm Mhiranya
a demonstration portal from CSI	1	1215	Mar 11th 11:19 am Bwang2453
Fermi-Amaldi Factor	0	1206	Mar 9th 8:22 am Wiliamcunha
FASTESP	1	1522	Feb 25th 11:59 am Edoapra
Calculating Density of a system	0	1187	Feb 21st 5:23 am Michael
Effective core potential (ECP): for atoms or for elements?	0	1657	Feb 10th 8:15 am Hua
Polarizability	3	2055	Feb 10th 8:11 am Hua
Using NWChem to generate WFN files	0	1727	Feb 5th 6:27 pm LonelySpooky
Torsion scanning error	1	1453	Feb 2nd 1:10 pm Pdpatel
SCS-CCSD is bogus on restart	2	1430	Jan 25th 2:54 pm Jhammond
problem in running a job in NWCHEM	2	4022	Jan 25th 1:45 pm Bvoigt
graphene isotope	1	1546	Jan 22nd 12:47 pm Sean
Different basis sets for the same atoms/molecules	1	1303	Jan 22nd 10:58 am Edoapra
NMR and chemical shifts in NWChem	8	2893	Jan 19th 4:12 am LonelySpooky
geometry optimazation rings system	0	1246	Jan 15th 11:47 pm YALDA88
antiferromagnetic coupling	3	1630	Jan 15th 8:03 am YALDA88
This error has not yet been assigned to a category	3	2181	Jan 4th 11:05 am Giaccai
Please help with MP2 TZ Energy calculations	1	1381	Dec 24th 12:48 pm Sean
visualization of resulted densities from a rt-tddft calculation	0	1394	Dec 22nd 3:45 am Mh.khodabandeh
RT-TDDFT basis set convergence	7	2446	Dec 17th 10:13 am Sean
Difference in ahlrich vtz & tzv	0	1717	Dec 16th 11:18 am Michael
printing hessian with greater precision	6	3101	Dec 10th 2:29 pm Tsenf
Wall time vs CPU time	8	2097	Dec 10th 10:17 am Frank.ramirez
how to use mp2 density to compute charges with ESP?	1	1509	Dec 9th 3:22 am P99

Forum >> NWChem's corner >> General Topics

Jump to page 1Prev 259101112131415Next 25Last