General Topics


Announcement's Replies Views Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
 0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
 0 12336 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 25567891011Next 25Last
Thread Title Replies Views Last Action
fraction occupation number for C
 0 754 Jun 24th 11:58 pm
Subrata.jana
NWchem as Linux package (ubuntu 16.04) crashing.
 0 1125 Jun 22nd 1:32 pm
Miro ilias
fractional electron charge
 1 1227 Jun 22nd 6:40 am
Subrata.jana
Calculation of reaction barrier height.
 1 958 Jun 16th 11:29 am
Bikash Patra
Problem in running AlCl3 molecule with symmetry tag.
 4 920 Jun 15th 10:13 am
Bikash Patra
plotting exchange potential
 0 847 Jun 11th 7:12 am
Subrata.jana
number of correlated electrons
 3 935 Jun 8th 3:11 am
Caoz
Is it possible in NWChem to determine the individual BDE for any Bond in an organic molecule?
 0 731 Jun 2nd 10:57 pm
Brajib
Hello, I am a new member, not yet downloaded/installed NWChem
 0 765 Jun 2nd 9:39 am
Brajib
import wavefunction
 0 952 May 21st 9:01 pm
Mouse
use nwchem as a library (plans)
 1 1648 May 19th 1:48 pm
Bylaska
Transition moments from DPLOT cube file transition density
 0 958 May 5th 4:33 pm
TomasN
Is it possible to combine FON and the Raman calculations?
 1 1455 Apr 30th 9:34 pm
AisanahtuE
About"ga_orthog: hard zero"
 2 1358 Apr 14th 7:23 pm
Jianyong Yuan
Calculation of exchange potential for meta-gga functional.
 0 940 Apr 14th 12:26 pm
Bikash Patra
NWchem only recognizes P1 space group
 0 657 Apr 14th 11:28 am
Kianooshk
Problem in running CS2 molecule.
 2 874 Mar 28th 8:31 am
Bikash Patra
Question about Fukui Reactivity Parameters from Chemcraft's developers
 1 1187 Mar 26th 9:14 am
Rintontin
Progress/Plan for optimizing NWChem to Xeon Phi Knights Landing?
 9 2396 Mar 20th 9:34 pm
Jhammond
nwchem compiling
 0 728 Mar 9th 5:33 am
Kanguru
Transition dipole moment between excited states
 0 1112 Mar 3rd 5:07 am
Bxfine
Problem when computing giao shieldings
 4 937 Feb 22nd 7:41 am
Armando
RT_TDDFT test case
 0 942 Feb 20th 8:45 am
Bikash
imaginary frequencies before the translations and rotations are projected out
 1 1112 Feb 14th 7:02 am
Sean
Geometry/gradient orientation
 1 1234 Feb 4th 5:20 pm
Rangsiman

Forum >> NWChem's corner >> General Topics
Jump to page 1Prev 25567891011Next 25Last