Running NWChem

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 2520212223242526Next 25Last

Thread Title	Replies	Views	Last Action
convergence issue for a small Zn cluster	2	1196	Sep 23rd 11:11 am Holyriver6
arm chair CNT cannot converge	2	1156	Sep 23rd 10:26 am Holyriver6
can we have pseudopotentials with atomic basis sets	2	1436	Sep 21st 8:11 am Holyriver6
number of excited states in mcscf	0	766	Sep 19th 7:43 pm Vitoversace
nwchem can't find libmpi_f90.so.1	1	3316	Sep 11th 1:34 pm Edoapra
Geometry optimization with DFT-D3	4	2107	Sep 2nd 6:59 am Bob79
BSSE and MP2 part error XYG3 functional	6	2459	Sep 1st 10:47 am Guillaume
Memory UHF-based TCE	2	1306	Aug 31st 8:52 pm Yjiao03
SO-DFT single point convergence problem	0	1104	Aug 27th 1:20 pm Navneet
TCE error	1	1403	Aug 24th 4:42 pm Edoapra
electronic coupling from CDFT	11	4538	Aug 24th 11:47 am Edoapra
BSSE input MPI abort communication error and XYG3 functional	7	2074	Aug 17th 1:27 am Guillaume
how to work with more that 25000 point charges.	2	1526	Aug 12th 4:57 pm Edoapra
Fail to converge	1	1487	Aug 12th 9:27 am Sean
Problem in the input ("invalid active atom" error)	0	1122	Aug 4th 3:43 pm Kucukkal
CDFT Convergence Issues	1	2099	Jul 29th 1:28 pm Edoapra
CDFT for C60-rubrene	3	1797	Jul 29th 1:19 pm Edoapra
CPKS Not Converged	0	967	Jul 29th 8:43 am Gayverjr
Error Reading d-aug-cc-pvdz	2	1258	Jul 24th 1:15 pm Gayverjr
Is 256G PCIe based-SSD enough for most calculations?	0	1346	Jul 24th 7:03 am Xiongyan21
error by running rodft	2	1135	Jul 21st 1:49 am HubertRO
Hardware recommendation	4	2131	Jul 14th 4:50 pm Jhammond
"inconsistency processing clusterinfo" error when trying to use multiple cluster nodes...	12	1840	Jul 14th 7:24 am Gutow
Error related to the specified geometry	2	1486	Jul 10th 9:25 am Gayverjr
tce_mrcc_readref	2	1556	Jul 8th 12:04 pm Karol
Problems with parallel md launch	0	1350	Jul 7th 4:17 am Anastasia.phys

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 2520212223242526Next 25Last