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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 264 Dec 14th 1:51 pm
Edoapra

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Negative excitation energies with active-space CR-EOMCCSD
Started By : Ewa
0 391 Jun 27th 6:58 am
Ewa
nfreq failed in task raman
Started By : RamanRamanRaman
2 432 Jun 25th 10:15 pm
RamanRamanRaman
problem running on periodic system
Started By : Lorenzodona91
0 330 Jun 23rd 7:36 am
Lorenzodona91
Error in prepare task.
Started By : CFGrote
0 434 Jun 23rd 12:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
Started By : Egarr93
2 372 Jun 22nd 7:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
Started By : Zhenjiang
2 438 Jun 22nd 10:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 506 Jun 20th 12:19 pm
Fcannini
Electron transfer based on CDFT
Started By : P.partovi
0 482 Jun 18th 4:14 am
P.partovi
making the movecs file visual?
Started By : Zhenjiang
2 440 Jun 15th 8:48 am
Zhenjiang
Problem in band_dplot
Started By : Zhenjiang
3 310 Jun 15th 7:56 am
Zhenjiang
insuff stack error in running job
Started By : Satvinder singh
1 780 Jun 14th 9:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
Started By : Amadpokabir888
0 524 Jun 13th 5:26 am
Debashree
Erros calculating the raman spectra
Started By : Alarcj
1 1049 Jun 6th 12:30 pm
Alarcj
orbital energy for pspw calculations
Started By : Xw213
0 435 Jun 3rd 1:15 pm
Xw213
Problem with frozen atoms
Started By : Jfruggera
1 567 May 31st 8:45 am
Bylaska
HF1D: Insufficient scratch space
Started By : Logsdail
2 531 May 13th 5:17 am
Logsdail
Spin-orbit parameters
Started By : SP
0 360 May 6th 11:15 am
SP
Bismuth's CRENBL ECP potential do not match with people-clarkson website.
Started By : SP
0 264 May 2nd 1:39 pm
SP
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
Started By : Alarcj
2 557 Apr 29th 4:47 pm
Alarcj
Another Raman question - WARNING: CPKS procedure is NOT converged
Started By : Alarcj
0 385 Apr 29th 4:44 pm
Alarcj
bad gga
Started By : Godzilla
0 334 Apr 29th 3:38 pm
Godzilla
Error: geom_verify_coords failed
Started By : Zahrt
0 554 Apr 29th 1:28 pm
Zahrt
Making movies with rasmolmovie
Started By : Alarcj
1 677 Apr 25th 11:00 am
Edoapra
Raman and vibrational modes
Started By : Alarcj
1 649 Apr 25th 10:52 am
Edoapra
How to read the eigenvalues from the output?
Started By : Raul l
0 393 Apr 24th 9:01 pm
Raul l

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