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Announcement's	Replies	Views	Last Action
NWChem 6.5 has been released Started By : Karol	0	5978	Sep 15th 11:02 am Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	8320	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
BNL UV calcuation error "one spin state at a time" Started By : Audmhugh	3	885	Mar 31st 1:58 pm Sean
Diffuse Basis set error Started By : Btam125	9	259	Mar 26th 1:08 pm Edoapra
missed atoms of plane wave calculation Started By : Saeed1	0	120	Mar 24th 5:30 am Saeed1
losing some atoms of input Started By : Saeed1	0	634	Mar 16th 8:40 am Saeed1
forrtl: severe (71): integer divide by zero Started By : Puneet336	0	749	Mar 16th 1:45 am Puneet336
When memory is not enough Started By : Vladimir	3	802	Mar 15th 6:56 pm Vladimir
TDDFT excitation symmetry broken for LC-DFT? Started By : Mpjohans	0	670	Mar 10th 5:28 pm Mpjohans
convergence of wavefunction Started By : Deepthi	0	657	Mar 9th 10:54 pm Deepthi
Geometry adjust zcoord problem Started By : PaulElliott	0	679	Mar 9th 6:13 am PaulElliott
potential energy of interaction using DFT !! Started By : Neo	4	817	Mar 4th 10:45 pm Neo
NMR Shielding Tensors not reported. Started By : Tatireddy	1	679	Mar 4th 1:34 pm Mernst
Memory requirements of EOM-CCSD excitations Started By : Mpjohans	1	784	Mar 4th 10:19 am Mpjohans
Bug: Oscillator strengths with EOMSOL 2 in EOM-CC Started By : Mpjohans	0	654	Mar 4th 10:17 am Mpjohans
CIS frequencies runs crash with "failed to read isroots" Started By : Mbanck	3	820	Feb 25th 5:46 pm Edoapra
MCSCF error "initial guess has wrong spin/symmetry" Started By : Akaranov	0	588	Feb 23rd 10:35 am Akaranov
Spherical BSs and COSMO Started By : Mpol	2	750	Feb 17th 3:22 am Mpol
0:geom_binvr: #indep variables incorrect:Received an Error in Communication Started By : Tatireddy	2	556	Feb 17th 2:27 am Tatireddy
Convergence problems; high difference between atomic guess and first step in scf Started By : McBudaTea	1	1156	Feb 14th 5:32 pm Huub
String Error: zts_meps: gradient failed 0 Started By : Pdpatel	1	820	Feb 14th 5:25 pm Huub
nbf/nmo/basis-name mismatch error in string and neb Started By : Pdpatel	1	1285	Feb 14th 5:16 pm Huub
"0:geom_input:center is neither atom nor bq:Received an Error in Communication" error message Started By : Tatireddy	1	723	Feb 14th 5:06 pm Huub
Problem with input for NWChem 6.1.1 and 6.5 Started By : AlexanderLV	6	793	Feb 14th 7:37 am AlexanderLV
MRCC for non-singlets Started By : Mpol	0	708	Feb 13th 3:04 am Mpol
tddft_transfm: failed to allocate w2 Started By : Martijn	1	723	Feb 9th 12:19 pm Edoapra
NWChem isn't running properly Started By : KhunWasut	2	725	Feb 3rd 10:46 am KhunWasut

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