Running NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2243 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
CCSD(T) computation
Started By : Aggavramopoulos
1 2065 Apr 9th 1:29 pm
Bert
Parallel execution takes longer than serial
Started By : Deburgess
2 2169 Apr 9th 1:25 pm
Bert
cdft issue
Started By : Fl3p
11 4560 Apr 5th 8:50 am
Bert
pspw convergence problem
Started By : Lemonseed
1 2005 Mar 30th 6:54 pm
Bylaska
Frozen orbitals in TCE
Started By : Markaw
1 1492 Mar 30th 3:34 pm
Bert
Any tips for getting rid of small imag. frequencies?
Started By : Stigrs
1 3505 Mar 30th 3:30 pm
Bert
Parallel CDFT Issues
Started By : NickJackson
1 1545 Mar 30th 3:25 pm
Bert
DFT Projecting from a Small Basis into a Large Basis
Started By : Mkennedy8
1 2707 Mar 29th 9:08 am
Edoapra
CCSD correlation energy infinite (Molpro works).
Started By : Guest -
3 2568 Mar 20th 1:16 pm
Markaw
SCF memory
Started By : Jonathan
2 4486 Mar 11th 11:39 am
Jonathan
xyz with energies
Started By : Mramirez
1 1432 Mar 7th 1:16 pm
Bert
TCE crashes
Started By : Bob
0 1674 Mar 7th 7:25 am
Bob
TDDFT problem using NWCHEM 6.1
Started By : Davide
3 2557 Mar 2nd 7:46 am
Niri
OpenCL
Started By : Zdm
2 1840 Mar 1st 12:29 pm
Zdm
ARMCI error
Started By : Chloe
7 3337 Mar 1st 11:16 am
Bert
Problems with B3LYP-D3 frequency calculation
Started By : Stigrs
2 5057 Mar 1st 7:10 am
Stigrs
Error When Running DNTMC module
Started By : Wxu1024
5 2248 Feb 22nd 4:16 pm
Edoapra
0:0:dai_write_param: filename too long::: 97
Started By : Jbaltrus
5 3603 Feb 12th 6:54 am
Jbaltrus
TDDFT aborts
Started By : Jbaltrus
2 1684 Feb 12th 6:52 am
Jbaltrus
Segmentation Violation error for Cr2 PBE aug-cc-pvqz
Started By : Marcindulak
11 5892 Feb 9th 12:54 pm
Marcindulak
how to use ASE's nebcode and nwchem interface?
Started By : Guest -
7 3534 Feb 8th 12:47 pm
Bert
nwchem 6.0: strange behaviour with input file argument
Started By : Ma t
3 3130 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 5684 Feb 7th 10:48 am
Bert
tddft
Started By : Guest -
2 2029 Feb 5th 10:16 pm
Niri
How to select a geometry for restart
Started By : Guest -
3 2702 Feb 1st 10:58 am
Bert
CPU load drops very low
Started By : Guest -
7 2660 Jan 31st 12:57 pm
Guest -

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