(387) Search Results

From NWChem

Displaying 25 results for: Bert Posts

Forum >> Search >> Bert Posts

Thread Title	Replies	Views	Last Action	Forum
electronic coupling from CDFT Started By : Tiechong	11	1991	Aug 24th 11:47 am Edoapra	Running NWChem
Converting MD trajectories from NWChem to anything VMD can read. Started By : Diegoarmino	4	2958	Apr 29th 5:17 pm Jhammond	Running NWChem
SODFT ZORA Started By : Mef362	2	1102	Apr 22nd 12:09 pm Erikm	General Topics
DFTB-D in nwchem Started By : Lmyiop	2	2222	Mar 16th 3:14 am Iresh	General Topics
NWchem 6.1 with CCSDTQ and CCSDTLR Started By : Marcinz	2	1719	Dec 10th 9:42 am Jhammond	Compiling NWChem
Dielectric Properties at MP2 and CCSD(T) level of theory Started By : Guest -	6	2235	Dec 10th 9:35 am Jhammond	Running NWChem
COSMO output questions Started By : Redmilps	4	1996	Dec 7th 2:29 pm Seunmesele	NWChem functionality
GNU make 3.82 issue Started By : Kernelpanic	10	3923	Sep 9th 5:15 am Neo	Compiling NWChem
band structure Started By : Makhyoun	3	1164	Jun 2nd 9:56 am Jcgolden	General Topics
Dalton format Started By : Tkjaer	3	1912	May 13th 2:16 pm Huub	General BSE Topics
calculation of electronic coupling for help Started By : Tfliu	2	689	Mar 7th 12:17 am Tfliu	General Topics
How to bring wall time closer to cpu time Started By : Sergei	2	1262	Feb 12th 2:12 pm Mlee33	Running NWChem
natural orbitals Started By : Adam.k	5	1214	Feb 11th 7:13 am Mark	NWChem functionality
How to visualize the trjactory generated by NWChem Started By : Wjb0920	6	2287	Jan 4th 10:51 pm Nfrik	Running NWChem
esp restrain Started By : P99	14	2146	Jan 2nd 7:43 am P99	General Topics
IRC calculations Started By : Jbaltrus	4	1889	Oct 3rd 3:07 pm Jbaltrus	NWChem functionality
Compiling NWChem on Cygwin1 2 Started By : P99	17	9664	Sep 13th 1:10 am Ivo	Compiling NWChem
How to get the open shell singlet state (singlet biradical) of ozone (O3) Started By : Guest -	14	6936	Sep 3rd 3:00 am Shahabnaghavi	General Topics
Problem with installing nwchem6.3 in fedora 14 : package couldn't found. Started By : Shilpinwchem	1	1058	Jul 10th 9:24 am Bert	Compiling NWChem
DFT input parse error Started By : Bk.ong	5	1739	Jul 10th 9:20 am Bert	Running NWChem
Possible Bug in NWCHEM: TD-B97 Started By : TAR	6	1497	Jul 10th 9:11 am Bert	General Topics
CCSD iterations does not converge Started By : Rusun	11	2296	Jul 10th 9:08 am Bert	General Topics
Large couplings for ET calcs Started By : Cchang	8	2149	Jul 9th 12:31 pm Edoapra	Running NWChem
An error in the ANO-RCC/Sb basis functions Started By : Zork	4	2272	Jul 2nd 1:19 pm Huub	General BSE Topics
How to compute overlap between two wavefunctions in NWChem Started By : Gpilania	3	1648	Jun 30th 7:13 am Saba	General Topics
Jump to page 12345678Next 25Last

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

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

Search

Navigation

SEARCH

TOOLBOX

LANGUAGES

Forum Menu

(387) Search Results

From NWChem

Toolbox