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Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	1781	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
Counterpoise corrected MP2 optimization errors Started By : Pollartp	0	136	Jun 24th 3:07 am Pollartp
Nwchem 6.1: Unable to open nwchem.nw --- appending .nw Started By : Lmyiop	7	195	Jun 22nd 9:19 am Bert
Change dielectric constant in gas-phase calculations Started By : Whoknows	1	101	Jun 20th 12:42 pm Whoknows
tetrahedral distortion - why ? Started By : Edward.deira	2	101	Jun 15th 11:07 am Edward.deira
SODFT tutorial example failure. Started By : Davis68	3	148	Jun 11th 2:09 pm Bert
Large couplings for ET calcs Started By : Cchang	6	412	May 31st 3:22 pm Bert
TCE: SF_READ_WAIT ERROR CODE = -1990 Started By : Cchang	2	125	May 22nd 2:43 pm Cchang
B3P86 Functional Started By : QuantumMenace	4	235	May 20th 4:24 am QuantumMenace
NWChem-6.1 compatibillity with glibc-2.15 Started By : Viktor	2	169	May 19th 1:01 am Viktor
failed ga_create size=********* Started By : Adam	2	201	May 18th 2:19 pm Karol
nwchem error dft_gradient Started By : Himadride	4	175	May 18th 1:21 am Himadride
autoz generating too many bonds Started By : Bockisch	1	117	May 17th 12:40 pm Bert
bad restart convergence Started By : Zdm	0	110	May 12th 9:52 am Zdm
problem with c-dft calculations Started By : Tanguy.vr	2	507	May 12th 5:46 am Shine
problem running with >3000 bqs (point charges) Started By : Dkanan	8	193	May 7th 5:04 pm Niri
tddft fails Started By : Roo464	2	156	May 1st 1:50 pm Roo464
Can't run scf on water Started By : Dberry	0	167	Apr 25th 3:11 pm Dberry
Symmetry fudging Started By : Martijn	1	165	Apr 25th 11:02 am Bert
Memory problem on AIX Started By : Lmentel	13	369	Apr 25th 5:28 am Lmentel
ga_get2eri: cannot allocate scr 2 Started By : Dandelion	4	248	Apr 16th 6:50 pm Dandelion
surface in NWPW or BAND Started By : Jbaltrus	0	109	Apr 13th 10:28 pm Jbaltrus
CCSD(T) computation Started By : Aggavramopoulos	1	271	Apr 9th 1:29 pm Bert
Parallel execution takes longer than serial Started By : Deburgess	2	222	Apr 9th 1:25 pm Bert
cdft issue Started By : Fl3p	11	627	Apr 5th 8:50 am Bert
pspw convergence problem Started By : Lemonseed	1	182	Mar 30th 6:54 pm Bylaska
Frozen orbitals in TCE Started By : Markaw	1	170	Mar 30th 3:34 pm Bert

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