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Announcement's Replies Views Last Action
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 348 Dec 3rd 3:06 pm
Edoapra
Bug in Raman code
Started By : Sean
0 2048 Feb 2nd 5:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 2177 Jan 28th 1:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5664 Oct 20th 3:12 pm
Edoapra

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Thread Title Replies Views Last Action
CDFT for dimer calculation
Started By : Xw213
1 401 Jul 9th 7:48 am
Jarvist
DFT running problem.
Started By : Nesquik91
0 324 Jul 7th 11:17 pm
Nesquik91
ERROR IN DFT OPTIMIZATION JOB
Started By : Satvinder
2 456 Jul 6th 7:46 pm
Satvinder singh
Negative excitation energies with active-space CR-EOMCCSD
Started By : Ewa
0 342 Jun 27th 6:58 am
Ewa
nfreq failed in task raman
Started By : RamanRamanRaman
2 373 Jun 25th 10:15 pm
RamanRamanRaman
problem running on periodic system
Started By : Lorenzodona91
0 284 Jun 23rd 7:36 am
Lorenzodona91
Error in prepare task.
Started By : CFGrote
0 359 Jun 23rd 12:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
Started By : Egarr93
2 322 Jun 22nd 7:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
Started By : Zhenjiang
2 389 Jun 22nd 10:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 446 Jun 20th 12:19 pm
Fcannini
Electron transfer based on CDFT
Started By : P.partovi
0 399 Jun 18th 4:14 am
P.partovi
making the movecs file visual?
Started By : Zhenjiang
2 388 Jun 15th 8:48 am
Zhenjiang
Problem in band_dplot
Started By : Zhenjiang
3 271 Jun 15th 7:56 am
Zhenjiang
insuff stack error in running job
Started By : Satvinder singh
1 659 Jun 14th 9:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
Started By : Amadpokabir888
0 482 Jun 13th 5:26 am
Debashree
Erros calculating the raman spectra
Started By : Alarcj
1 861 Jun 6th 12:30 pm
Alarcj
orbital energy for pspw calculations
Started By : Xw213
0 378 Jun 3rd 1:15 pm
Xw213
Problem with frozen atoms
Started By : Jfruggera
1 490 May 31st 8:45 am
Bylaska
HF1D: Insufficient scratch space
Started By : Logsdail
2 468 May 13th 5:17 am
Logsdail
Spin-orbit parameters
Started By : SP
0 317 May 6th 11:15 am
SP
Bismuth's CRENBL ECP potential do not match with people-clarkson website.
Started By : SP
0 250 May 2nd 1:39 pm
SP
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
Started By : Alarcj
2 515 Apr 29th 4:47 pm
Alarcj
Another Raman question - WARNING: CPKS procedure is NOT converged
Started By : Alarcj
0 345 Apr 29th 4:44 pm
Alarcj
bad gga
Started By : Godzilla
0 293 Apr 29th 3:38 pm
Godzilla
Error: geom_verify_coords failed
Started By : Zahrt
0 473 Apr 29th 1:28 pm
Zahrt

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