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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 4125 Jun 7th 3:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 6183 Dec 14th 1:51 pm
Edoapra

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cosmo off
Started By : P99
0 429 May 6th 8:00 am
P99
How to download old versions of NWCHEM?
Started By : Xinyma
2 613 May 3rd 1:35 pm
Xinyma
DFT with dummy atoms(no charge)
Started By : Neo
0 603 May 3rd 4:47 am
Neo
Problem restarting a TDDFT calculation using VEM implicit solvent
Started By : Lrdev
2 616 Apr 30th 8:22 am
Lrdev
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 698 Apr 22nd 2:22 pm
Xinyma
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 644 Apr 20th 8:52 am
EmilioMac
ANO-RCC basis set for Yb
Started By : EmilioMac
3 646 Apr 4th 6:30 am
EmilioMac
DFT benchmark
Started By : Marcof
0 581 Apr 3rd 2:35 am
Marcof
SODFT collinear or non-collinear xc contribution?
Started By : Jacques D
2 596 Mar 21st 1:47 am
Jacques D
Oscillating energy in DFT; system does not converge
Started By : Ankit
0 634 Mar 8th 12:19 am
Ankit
RI-MP2 tutorial
Started By : P99
0 553 Feb 28th 9:50 pm
P99
Number of electrons from Molden
Started By : Bikash
8 864 Feb 24th 4:47 am
Bikash
SCF convergence problems
Started By : Anindya.mitra
2 718 Feb 21st 3:29 pm
Edoapra
esp ABS deviation %
Started By : P99
0 472 Feb 15th 11:31 pm
P99
QA/doqmtests.mpi failures
Started By : Jasno
2 610 Feb 8th 1:42 am
Jasno
instruction for carrying out UHF calculations of H2 molecule
Started By : Ypwang
2 876 Jan 30th 8:23 pm
Ypwang
BSSE energy negative value
Started By : Marcel
3 730 Jan 26th 9:33 am
Edoapra
Apparent bug in Hartree-Fock energies for selected cases with diffuse basis sets
Started By : Ctu
2 690 Jan 23rd 3:03 am
Ctu
ga_print
Started By : Jacques D
2 630 Jan 23rd 1:04 am
Jacques D
oscillator strength for EOM-CC
Started By : Michaelm
1 764 Dec 23rd 1:29 am
Michaelm
write-failed error on large systems
Started By : Samarjeet
3 743 Dec 21st 2:45 pm
Samarjeet
Regarding generation of output file
Started By : Ashimabajaj
1 551 Dec 18th 7:53 am
Samarjeet
COSMO-SMD optimization of large systems
Started By : Samarjeet
0 609 Dec 18th 7:07 am
Samarjeet
NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g
Started By : Twotoneblue
9 1008 Dec 13th 1:15 pm
Twotoneblue
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 2790 Dec 3rd 3:06 pm
Edoapra

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