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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
Frozen orbitals in TCE Started By : Markaw	1	170	Mar 30th 3:34 pm Bert
Any tips for getting rid of small imag. frequencies? Started By : Stigrs	1	164	Mar 30th 3:30 pm Bert
Parallel CDFT Issues Started By : NickJackson	1	193	Mar 30th 3:25 pm Bert
DFT Projecting from a Small Basis into a Large Basis Started By : Mkennedy8	1	165	Mar 29th 9:08 am Edoapra
CCSD correlation energy infinite (Molpro works). Started By : Guest -	3	211	Mar 20th 1:16 pm Markaw
SCF memory Started By : Jonathan	2	261	Mar 11th 11:39 am Jonathan
xyz with energies Started By : Mramirez	1	161	Mar 7th 1:16 pm Bert
TCE crashes Started By : Bob	0	154	Mar 7th 7:25 am Bob
TDDFT problem using NWCHEM 6.1 Started By : Davide	3	305	Mar 2nd 7:46 am Niri
OpenCL Started By : Zdm	2	259	Mar 1st 12:29 pm Zdm
ARMCI error Started By : Chloe	7	295	Mar 1st 11:16 am Bert
Problems with B3LYP-D3 frequency calculation Started By : Stigrs	2	415	Mar 1st 7:10 am Stigrs
Error When Running DNTMC module Started By : Wxu1024	5	185	Feb 22nd 4:16 pm Edoapra
0:0:dai_write_param: filename too long::: 97 Started By : Jbaltrus	5	278	Feb 12th 6:54 am Jbaltrus
TDDFT aborts Started By : Jbaltrus	2	220	Feb 12th 6:52 am Jbaltrus
Segmentation Violation error for Cr2 PBE aug-cc-pvqz Started By : Marcindulak	11	625	Feb 9th 12:54 pm Marcindulak
how to use ASE's nebcode and nwchem interface? Started By : Guest -	7	394	Feb 8th 12:47 pm Bert
nwchem 6.0: strange behaviour with input file argument Started By : Ma t	3	229	Feb 8th 1:40 am Ma t
a molpro CCSD(t) calculation with BSSE correction and bond function input file to nwchem input Started By : Luyunpeng	5	358	Feb 7th 10:48 am Bert
tddft Started By : Guest -	2	221	Feb 5th 10:16 pm Niri
How to select a geometry for restart Started By : Guest -	3	318	Feb 1st 10:58 am Bert
CPU load drops very low Started By : Guest -	7	391	Jan 31st 12:57 pm Guest -
MD sample run Started By : Guest -	1	190	Jan 26th 4:54 am Guest -
DFT caculation fail to Calculation failed to converge, someone help please Started By : Flamcsd	3	362	Jan 5th 5:40 pm Niri
Converting MD trajectories from NWChem to anything VMD can read. Started By : Diegoarmino	3	1031	Dec 30th 9:51 am Guest -

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