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