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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 261 Dec 14th 1:51 pm
Edoapra

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Regarding Calculation of Lennard-Jones potentials and Bond/Angle/Dihedral force constant in NWCHEM
Started By : Dasdevashishdas
0 218 Jun 26th 1:58 pm
Dasdevashishdas
fraction occupation number for C
Started By : Subrata.jana
0 186 Jun 24th 10:58 pm
Subrata.jana
NWchem as Linux package (ubuntu 16.04) crashing.
Started By : Miro ilias
0 227 Jun 22nd 12:32 pm
Miro ilias
fractional electron charge
Started By : Subrata.jana
1 261 Jun 22nd 5:40 am
Subrata.jana
Calculation of reaction barrier height.
Started By : Bikash Patra
1 325 Jun 16th 10:29 am
Bikash Patra
Problem in running AlCl3 molecule with symmetry tag.
Started By : Bikash Patra
4 211 Jun 15th 9:13 am
Bikash Patra
plotting exchange potential
Started By : Subrata.jana
0 257 Jun 11th 6:12 am
Subrata.jana
number of correlated electrons
Started By : Caoz
3 300 Jun 8th 2:11 am
Caoz
Is it possible in NWChem to determine the individual BDE for any Bond in an organic molecule?
Started By : Brajib
0 225 Jun 2nd 9:57 pm
Brajib
Hello, I am a new member, not yet downloaded/installed NWChem
Started By : Brajib
0 212 Jun 2nd 8:39 am
Brajib
import wavefunction
Started By : Mouse
0 256 May 21st 8:01 pm
Mouse
use nwchem as a library (plans)
Started By : Stanos4
1 647 May 19th 12:48 pm
Bylaska
Transition moments from DPLOT cube file transition density
Started By : TomasN
0 284 May 5th 3:33 pm
TomasN
Is it possible to combine FON and the Raman calculations?
Started By : AisanahtuE
1 259 Apr 30th 8:34 pm
AisanahtuE
About"ga_orthog: hard zero"
Started By : Jianyong Yuan
2 408 Apr 14th 6:23 pm
Jianyong Yuan
Calculation of exchange potential for meta-gga functional.
Started By : Bikash Patra
0 305 Apr 14th 11:26 am
Bikash Patra
NWchem only recognizes P1 space group
Started By : Kianooshk
0 188 Apr 14th 10:28 am
Kianooshk
Problem in running CS2 molecule.
Started By : Bikash Patra
2 287 Mar 28th 7:31 am
Bikash Patra
Question about Fukui Reactivity Parameters from Chemcraft's developers
Started By : Rintontin
1 448 Mar 26th 8:14 am
Rintontin
Progress/Plan for optimizing NWChem to Xeon Phi Knights Landing?
Started By : Hiromasa
9 1286 Mar 20th 8:34 pm
Jhammond
nwchem compiling
Started By : Kanguru
0 273 Mar 9th 4:33 am
Kanguru
Transition dipole moment between excited states
Started By : Bxfine
0 421 Mar 3rd 4:07 am
Bxfine
Problem when computing giao shieldings
Started By : Armando
4 395 Feb 22nd 6:41 am
Armando
RT_TDDFT test case
Started By : Bikash
0 381 Feb 20th 7:45 am
Bikash
imaginary frequencies before the translations and rotations are projected out
Started By : Amelia
1 427 Feb 14th 6:02 am
Sean

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