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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

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