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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 1024 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 3140 Dec 14th 2:51 pm
Edoapra

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NWchem as Linux package (ubuntu 16.04) crashing.
Started By : Miro ilias
0 828 Jun 22nd 1:32 pm
Miro ilias
fractional electron charge
Started By : Subrata.jana
1 889 Jun 22nd 6:40 am
Subrata.jana
Calculation of reaction barrier height.
Started By : Bikash Patra
1 714 Jun 16th 11:29 am
Bikash Patra
Problem in running AlCl3 molecule with symmetry tag.
Started By : Bikash Patra
4 643 Jun 15th 10:13 am
Bikash Patra
plotting exchange potential
Started By : Subrata.jana
0 641 Jun 11th 7:12 am
Subrata.jana
number of correlated electrons
Started By : Caoz
3 681 Jun 8th 3:11 am
Caoz
Is it possible in NWChem to determine the individual BDE for any Bond in an organic molecule?
Started By : Brajib
0 516 Jun 2nd 10:57 pm
Brajib
Hello, I am a new member, not yet downloaded/installed NWChem
Started By : Brajib
0 544 Jun 2nd 9:39 am
Brajib
import wavefunction
Started By : Mouse
0 688 May 21st 9:01 pm
Mouse
use nwchem as a library (plans)
Started By : Stanos4
1 1298 May 19th 1:48 pm
Bylaska
Transition moments from DPLOT cube file transition density
Started By : TomasN
0 719 May 5th 4:33 pm
TomasN
Is it possible to combine FON and the Raman calculations?
Started By : AisanahtuE
1 605 Apr 30th 9:34 pm
AisanahtuE
About"ga_orthog: hard zero"
Started By : Jianyong Yuan
2 1039 Apr 14th 7:23 pm
Jianyong Yuan
Calculation of exchange potential for meta-gga functional.
Started By : Bikash Patra
0 732 Apr 14th 12:26 pm
Bikash Patra
NWchem only recognizes P1 space group
Started By : Kianooshk
0 466 Apr 14th 11:28 am
Kianooshk
Problem in running CS2 molecule.
Started By : Bikash Patra
2 620 Mar 28th 8:31 am
Bikash Patra
Question about Fukui Reactivity Parameters from Chemcraft's developers
Started By : Rintontin
1 925 Mar 26th 9:14 am
Rintontin
Progress/Plan for optimizing NWChem to Xeon Phi Knights Landing?
Started By : Hiromasa
9 2063 Mar 20th 9:34 pm
Jhammond
nwchem compiling
Started By : Kanguru
0 532 Mar 9th 5:33 am
Kanguru
Transition dipole moment between excited states
Started By : Bxfine
0 880 Mar 3rd 5:07 am
Bxfine
Problem when computing giao shieldings
Started By : Armando
4 734 Feb 22nd 7:41 am
Armando
RT_TDDFT test case
Started By : Bikash
0 735 Feb 20th 8:45 am
Bikash
imaginary frequencies before the translations and rotations are projected out
Started By : Amelia
1 873 Feb 14th 7:02 am
Sean
Geometry/gradient orientation
Started By : Cgr
1 982 Feb 4th 5:20 pm
Rangsiman
Wondering about Unit conversion in RT-TDDFT
Started By : Rangsiman
2 797 Feb 4th 10:29 am
Rangsiman

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