Running NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 988 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Negative excitation energies with active-space CR-EOMCCSD
Started By : Ewa
0 498 Jun 27th 7:58 am
Ewa
nfreq failed in task raman
Started By : RamanRamanRaman
2 571 Jun 25th 11:15 pm
RamanRamanRaman
problem running on periodic system
Started By : Lorenzodona91
0 418 Jun 23rd 8:36 am
Lorenzodona91
Error in prepare task.
Started By : CFGrote
0 567 Jun 23rd 1:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
Started By : Egarr93
2 489 Jun 22nd 8:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
Started By : Zhenjiang
2 568 Jun 22nd 11:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 626 Jun 20th 1:19 pm
Fcannini
Electron transfer based on CDFT
Started By : P.partovi
0 679 Jun 18th 5:14 am
P.partovi
making the movecs file visual?
Started By : Zhenjiang
2 526 Jun 15th 9:48 am
Zhenjiang
Problem in band_dplot
Started By : Zhenjiang
3 398 Jun 15th 8:56 am
Zhenjiang
insuff stack error in running job
Started By : Satvinder singh
1 1017 Jun 14th 10:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
Started By : Amadpokabir888
0 595 Jun 13th 6:26 am
Debashree
Erros calculating the raman spectra
Started By : Alarcj
1 1300 Jun 6th 1:30 pm
Alarcj
orbital energy for pspw calculations
Started By : Xw213
0 550 Jun 3rd 2:15 pm
Xw213
Problem with frozen atoms
Started By : Jfruggera
1 717 May 31st 9:45 am
Bylaska
HF1D: Insufficient scratch space
Started By : Logsdail
2 660 May 13th 6:17 am
Logsdail
Spin-orbit parameters
Started By : SP
0 464 May 6th 12:15 pm
SP
Bismuth's CRENBL ECP potential do not match with people-clarkson website.
Started By : SP
0 344 May 2nd 2:39 pm
SP
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
Started By : Alarcj
2 645 Apr 29th 5:47 pm
Alarcj
Another Raman question - WARNING: CPKS procedure is NOT converged
Started By : Alarcj
0 506 Apr 29th 5:44 pm
Alarcj
bad gga
Started By : Godzilla
0 416 Apr 29th 4:38 pm
Godzilla
Error: geom_verify_coords failed
Started By : Zahrt
0 804 Apr 29th 2:28 pm
Zahrt
Making movies with rasmolmovie
Started By : Alarcj
1 801 Apr 25th 12:00 pm
Edoapra
Raman and vibrational modes
Started By : Alarcj
1 802 Apr 25th 11:52 am
Edoapra
How to read the eigenvalues from the output?
Started By : Raul l
0 512 Apr 24th 10:01 pm
Raul l

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