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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3240 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5328 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Error in DPlot: VIEW and nOrb > 1 conflict
Started By : Marcel
1 234 Sep 9th 1:38 pm
Edoapra
Can optical rotation calculation with dft use aug-cc-pvdz
Started By : Xiongyan21
1 91 Sep 5th 4:32 pm
Xiongyan21
Problem using dispersion corrections (PBE-D4) in PSPW module
Started By : Florianj
1 171 Aug 30th 9:20 am
Florianj
SCF residual greater than 1d-2 error for Raman calculation
Started By : IGClayson
3 97 Aug 29th 10:01 am
Edoapra
Post-treatment of water RT-TDDFT exercise
Started By : Mukkore
0 85 Aug 28th 8:08 am
Mukkore
error load output with gabedit 2.5.0 nwchem 6.8
Started By : Marcel
5 199 Aug 27th 9:24 am
Edoapra
error load TDDFT output with gabedit 2.5.0 and nwchem 6.8
Started By : Marcel
0 79 Aug 26th 9:11 am
Marcel
I/O error for NWCHEM
Started By : Garfield
1 95 Aug 21st 4:28 pm
Edoapra
Local ECP potential is zero and ignored
Started By : Gncs
4 1029 Aug 21st 9:17 am
Edoapra
Problems with negative frequencies
Started By : Sophia.sagala
4 510 Aug 19th 3:07 pm
Edoapra
cphf_solve2 issues for vibrational calculation in version 6.8.1
Started By : IGClayson
3 168 Aug 19th 9:47 am
IGClayson
Negative frequency with MP2
Started By : Jcpkato
0 109 Aug 17th 6:56 am
Jcpkato
Can NWCHEM search MECP like GAMESS
Started By : Xiongyan21
2 200 Aug 15th 3:50 am
Xiongyan21
scf input directive not recognized
Started By : Alysonts
0 97 Aug 8th 3:50 pm
Alysonts
ioctl error when using nwchem with ase
Started By : Betacentauri
1 133 Aug 5th 12:05 pm
Edoapra
RT TDDFT Electric Field phase
Started By : Matrix2017
0 98 Aug 5th 9:48 am
Matrix2017
Memory Error
Started By : Gpareras
3 116 Aug 2nd 9:15 am
Edoapra
Description of geometry in output file
Started By : Sergbuto
1 96 Jul 31st 10:29 am
Edoapra
error load output with gabedit 2.5.0 nwchem 6.8
Started By : Marcel
0 0 Jul 30th 7:52 am
Marcel
error load output with gabedit 2.5.0 nwchem 6.8
Started By : Marcel
0 0 Jul 30th 7:50 am
Marcel
error load output with gabedit 2.5.0 nwchem 6.8
Started By : Marcel
0 0 Jul 30th 7:49 am
Marcel
"cpsi_data_alloc: out of heap memory" error
Started By : Sergbuto
0 122 Jul 27th 12:48 pm
Sergbuto
Implicit solvent for plane wave dft?
Started By : Florianj
0 104 Jul 26th 7:01 am
Florianj
Optimization of H2O
Started By : Hong420
2 139 Jul 23rd 6:16 pm
Hong420
Electron transfer based on CDFT
Started By : P.partovi
1 1131 Jul 22nd 3:31 pm
Nishat

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