SEARCH
TOOLBOX
LANGUAGES
Forum Menu

Running NWChem

From NWChem

Topics related to running NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting.
Started By : Bert
0 1781 Feb 2nd 7:13 pm
Bert

Jump to page 1Prev 253456Next 25Last
Thread Title Replies Views Last Action
Frozen orbitals in TCE
Started By : Markaw
1 170 Mar 30th 3:34 pm
Bert
Any tips for getting rid of small imag. frequencies?
Started By : Stigrs
1 164 Mar 30th 3:30 pm
Bert
Parallel CDFT Issues
Started By : NickJackson
1 193 Mar 30th 3:25 pm
Bert
DFT Projecting from a Small Basis into a Large Basis
Started By : Mkennedy8
1 165 Mar 29th 9:08 am
Edoapra
CCSD correlation energy infinite (Molpro works).
Started By : Guest -
3 211 Mar 20th 1:16 pm
Markaw
SCF memory
Started By : Jonathan
2 261 Mar 11th 11:39 am
Jonathan
xyz with energies
Started By : Mramirez
1 161 Mar 7th 1:16 pm
Bert
TCE crashes
Started By : Bob
0 154 Mar 7th 7:25 am
Bob
TDDFT problem using NWCHEM 6.1
Started By : Davide
3 305 Mar 2nd 7:46 am
Niri
OpenCL
Started By : Zdm
2 259 Mar 1st 12:29 pm
Zdm
ARMCI error
Started By : Chloe
7 295 Mar 1st 11:16 am
Bert
Problems with B3LYP-D3 frequency calculation
Started By : Stigrs
2 415 Mar 1st 7:10 am
Stigrs
Error When Running DNTMC module
Started By : Wxu1024
5 185 Feb 22nd 4:16 pm
Edoapra
0:0:dai_write_param: filename too long::: 97
Started By : Jbaltrus
5 278 Feb 12th 6:54 am
Jbaltrus
TDDFT aborts
Started By : Jbaltrus
2 220 Feb 12th 6:52 am
Jbaltrus
Segmentation Violation error for Cr2 PBE aug-cc-pvqz
Started By : Marcindulak
11 625 Feb 9th 12:54 pm
Marcindulak
how to use ASE's nebcode and nwchem interface?
Started By : Guest -
7 394 Feb 8th 12:47 pm
Bert
nwchem 6.0: strange behaviour with input file argument
Started By : Ma t
3 229 Feb 8th 1:40 am
Ma t
a molpro CCSD(t) calculation with BSSE correction and bond function input file to nwchem input
Started By : Luyunpeng
5 358 Feb 7th 10:48 am
Bert
tddft
Started By : Guest -
2 221 Feb 5th 10:16 pm
Niri
How to select a geometry for restart
Started By : Guest -
3 318 Feb 1st 10:58 am
Bert
CPU load drops very low
Started By : Guest -
7 391 Jan 31st 12:57 pm
Guest -
MD sample run
Started By : Guest -
1 190 Jan 26th 4:54 am
Guest -
DFT caculation fail to Calculation failed to converge, someone help please
Started By : Flamcsd
3 362 Jan 5th 5:40 pm
Niri
Converting MD trajectories from NWChem to anything VMD can read.
Started By : Diegoarmino
3 1031 Dec 30th 9:51 am
Guest -

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 253456Next 25Last



Who's here now Members 0 Guests 0 Bots/Crawler 2


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