Running NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Parallel execution takes longer than serial
2 2410 Apr 9th 1:25 pm
Bert
cdft issue
11 5059 Apr 5th 8:50 am
Bert
pspw convergence problem
1 2357 Mar 30th 6:54 pm
Bylaska
Frozen orbitals in TCE
1 1722 Mar 30th 3:34 pm
Bert
Any tips for getting rid of small imag. frequencies?
1 4102 Mar 30th 3:30 pm
Bert
Parallel CDFT Issues
1 1734 Mar 30th 3:25 pm
Bert
DFT Projecting from a Small Basis into a Large Basis
1 3057 Mar 29th 9:08 am
Edoapra
CCSD correlation energy infinite (Molpro works).
3 2789 Mar 20th 1:16 pm
Markaw
SCF memory
2 5012 Mar 11th 11:39 am
Jonathan
xyz with energies
1 1606 Mar 7th 1:16 pm
Bert
TCE crashes
0 1853 Mar 7th 7:25 am
Bob
TDDFT problem using NWCHEM 6.1
3 2812 Mar 2nd 7:46 am
Niri
OpenCL
2 2073 Mar 1st 12:29 pm
Zdm
ARMCI error
7 3713 Mar 1st 11:16 am
Bert
Problems with B3LYP-D3 frequency calculation
2 5564 Mar 1st 7:10 am
Stigrs
Error When Running DNTMC module
5 2498 Feb 22nd 4:16 pm
Edoapra
0:0:dai_write_param: filename too long::: 97
5 3992 Feb 12th 6:54 am
Jbaltrus
TDDFT aborts
2 1916 Feb 12th 6:52 am
Jbaltrus
Segmentation Violation error for Cr2 PBE aug-cc-pvqz
11 6319 Feb 9th 12:54 pm
Marcindulak
how to use ASE's nebcode and nwchem interface?
7 3867 Feb 8th 12:47 pm
Bert
nwchem 6.0: strange behaviour with input file argument
3 3519 Feb 8th 1:40 am
Ma t
a molpro CCSD(t) calculation with BSSE correction and bond function input file to nwchem input
5 6419 Feb 7th 10:48 am
Bert
tddft
2 2364 Feb 5th 10:16 pm
Niri
How to select a geometry for restart
3 3075 Feb 1st 10:58 am
Bert
CPU load drops very low
7 3021 Jan 31st 12:57 pm
Guest -
MD sample run
1 1613 Jan 26th 4:54 am
Guest -

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