General Topics

From NWChem

General topics related to NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 799 Dec 14th 2:51 pm
Edoapra

Jump to page 12345678Next 25Last
Thread Title Replies Views Last Action
Acquire Real and Novelty..Passports ,ID cards,visas,Drivers License
Started By : Anderson44
1 12 May 22nd 10:05 pm
Chisybris
task tce optimize
Started By : Jank
1 429 May 17th 10:31 am
Mizuchi
How to download old versions of NWCHEM?
Started By : Xinyma
3 55 May 10th 6:53 pm
CatrionaLozano52
cosmo off
Started By : P99
0 24 May 6th 9:00 am
P99
DFT with dummy atoms(no charge)
Started By : Neo
0 48 May 3rd 5:47 am
Neo
Problem restarting a TDDFT calculation using VEM implicit solvent
Started By : Lrdev
0 53 Apr 30th 9:22 am
Lrdev
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 72 Apr 22nd 3:22 pm
Xinyma
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 84 Apr 20th 9:52 am
EmilioMac
ANO-RCC basis set for Yb
Started By : EmilioMac
3 187 Apr 4th 7:30 am
EmilioMac
DFT benchmark
Started By : Marcof
0 105 Apr 3rd 3:35 am
Marcof
SODFT collinear or non-collinear xc contribution?
Started By : Jacques D
2 108 Mar 21st 2:47 am
Jacques D
Oscillating energy in DFT; system does not converge
Started By : Ankit
0 144 Mar 8th 1:19 am
Ankit
RI-MP2 tutorial
Started By : P99
0 124 Feb 28th 10:50 pm
P99
Number of electrons from Molden
Started By : Bikash
8 170 Feb 24th 5:47 am
Bikash
SCF convergence problems
Started By : Anindya.mitra
2 150 Feb 21st 4:29 pm
Edoapra
esp ABS deviation %
Started By : P99
0 103 Feb 16th 12:31 am
P99
QA/doqmtests.mpi failures
Started By : Jasno
2 152 Feb 8th 2:42 am
Jasno
instruction for carrying out UHF calculations of H2 molecule
Started By : Ypwang
2 243 Jan 30th 9:23 pm
Ypwang
BSSE energy negative value
Started By : Marcel
3 188 Jan 26th 10:33 am
Edoapra
Apparent bug in Hartree-Fock energies for selected cases with diffuse basis sets
Started By : Ctu
2 206 Jan 23rd 4:03 am
Ctu
ga_print
Started By : Jacques D
2 188 Jan 23rd 2:04 am
Jacques D
oscillator strength for EOM-CC
Started By : Michaelm
1 309 Dec 23rd 2:29 am
Michaelm
write-failed error on large systems
Started By : Samarjeet
3 177 Dec 21st 3:45 pm
Samarjeet
Regarding generation of output file
Started By : Ashimabajaj
1 210 Dec 18th 8:53 am
Samarjeet
COSMO-SMD optimization of large systems
Started By : Samarjeet
0 194 Dec 18th 8:07 am
Samarjeet

Forum >> NWChem's corner >> General Topics
Jump to page 12345678Next 25Last



Who's here now Members 0 Guests 4 Bots/Crawler 4


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC