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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1724 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
How to determine the orbital number of homo in a periodic system?
Started By : Zhenjiang
2 700 Jun 22nd 10:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 711 Jun 20th 12:19 pm
Fcannini
Electron transfer based on CDFT
Started By : P.partovi
0 839 Jun 18th 4:14 am
P.partovi
making the movecs file visual?
Started By : Zhenjiang
2 632 Jun 15th 8:48 am
Zhenjiang
Problem in band_dplot
Started By : Zhenjiang
3 486 Jun 15th 7:56 am
Zhenjiang
insuff stack error in running job
Started By : Satvinder singh
1 1143 Jun 14th 9:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
Started By : Amadpokabir888
0 669 Jun 13th 5:26 am
Debashree
Erros calculating the raman spectra
Started By : Alarcj
1 1502 Jun 6th 12:30 pm
Alarcj
orbital energy for pspw calculations
Started By : Xw213
0 662 Jun 3rd 1:15 pm
Xw213
Problem with frozen atoms
Started By : Jfruggera
1 858 May 31st 8:45 am
Bylaska
HF1D: Insufficient scratch space
Started By : Logsdail
2 795 May 13th 5:17 am
Logsdail
Spin-orbit parameters
Started By : SP
0 532 May 6th 11:15 am
SP
Bismuth's CRENBL ECP potential do not match with people-clarkson website.
Started By : SP
0 405 May 2nd 1:39 pm
SP
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
Started By : Alarcj
2 748 Apr 29th 4:47 pm
Alarcj
Another Raman question - WARNING: CPKS procedure is NOT converged
Started By : Alarcj
0 613 Apr 29th 4:44 pm
Alarcj
bad gga
Started By : Godzilla
0 499 Apr 29th 3:38 pm
Godzilla
Error: geom_verify_coords failed
Started By : Zahrt
0 983 Apr 29th 1:28 pm
Zahrt
Making movies with rasmolmovie
Started By : Alarcj
1 937 Apr 25th 11:00 am
Edoapra
Raman and vibrational modes
Started By : Alarcj
1 976 Apr 25th 10:52 am
Edoapra
How to read the eigenvalues from the output?
Started By : Raul l
0 634 Apr 24th 9:01 pm
Raul l
Performance of NWCHEM-6.5
Started By : Makhyoun
0 589 Apr 21st 8:44 pm
Makhyoun
Expectation value of S2
Started By : Rasmus
0 997 Apr 15th 6:26 am
Rasmus
Non-convergence of iterative solution of linear equations ("lkain: not converged")
Started By : Logsdail
4 794 Apr 11th 1:33 am
Logsdail
MCSCF problem (cannot create CI vector)
Started By : Nesquik91
0 647 Apr 3rd 6:15 pm
Nesquik91
CCSD geometry optimization on the BSSE corrected surface!
Started By : Chemje
7 1096 Apr 1st 8:17 am
Chemje

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