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Displaying 25 results for: Huub Posts
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Thread Title Replies Views Last Action Forum
HOMO-LUMO gap in Aun
Started By : Alfcanova
1 1384 Apr 8th 5:27 pm
Huub
General Topics
run frozen or is it normal
Started By : Elvis
1 913 Apr 8th 5:05 pm
Huub
General Topics
SARC-ZORA @ nwchem 6.0
Started By : Elvis
1 1123 Apr 8th 4:59 pm
Huub
General Topics
how to put a charge in a certain atom
Started By : Tfliu
1 961 Apr 8th 4:37 pm
Huub
General Topics
failed convergance for a single atom
Started By : Alexx
1 1398 Apr 8th 4:27 pm
Huub
General Topics
nwchem-6.3 in cygwin
Started By : Manash
1 1163 Apr 8th 1:00 pm
Huub
Compiling NWChem
Generating sigma profiles from COSMO calculations
Started By : Vandhana16
1 1403 Apr 8th 12:24 pm
Huub
NWChem functionality
output exchange energy and potential at each grid point
Started By : Shipenn
1 1333 Mar 6th 3:37 pm
Huub
NWChem functionality
Two patches for ECCE/Gaussian 09
Started By : Ohlincha
3 2392 Feb 7th 4:37 am
Ohlincha
General ECCE Topics
Constrained DFT (CDFT) with plane wave?
Started By : Binjiang
1 1331 Feb 5th 10:35 am
Huub
NWChem functionality
How to do transition state calculations using nwchem...
Started By : Mhiranya
2 1425 Jan 30th 12:49 pm
Mhiranya
General Topics
Kinetic energy from correlated density matrix
Started By : Danielhmm
1 1195 Jan 24th 10:05 am
Huub
General Topics
B2PLYP and cgmin
Started By : Vincent
3 1559 Dec 10th 3:44 am
Vincent
NWChem functionality
Problem compiling NWChem on CYGWIN
Started By : Newuser
1 1463 Dec 9th 2:07 pm
Huub
Compiling NWChem
formatting problem (ACES II/CFOUR)
Started By : Irikura
2 2816 Dec 9th 2:02 pm
Huub
General BSE Topics
Problem with exporting Pseudopotential libraries
Started By : Sravankumarkb
1 1218 Dec 6th 3:18 pm
Huub
Running NWChem
how to fix origin?
Started By : Y.t.azar
3 1199 Dec 2nd 3:14 pm
Y.t.azar
General Topics
swapping alphas with betas
Started By : Adampelzer
2 1164 Nov 27th 7:35 pm
Adampelzer
Running NWChem
clearing shared memory from unterminated processes
Started By : Tpirojsi
3 8530 Nov 27th 11:49 am
Tpirojsi
Running NWChem
def2 basis sets
Started By : Mark
3 4286 Nov 25th 11:59 am
Huub
General BSE Topics
Input file errors; unexplained error messages
Started By : Tholme
2 1488 Nov 19th 12:22 pm
Tholme
Running NWChem
Apparent error in one d exponent in 6-311G(2df)-type basis sets
Started By : JDWatts
1 3097 Nov 18th 3:00 pm
Huub
General BSE Topics
CPHF error: "could not allocate g_fock 555"
Started By : DaniilKh
2 1612 Nov 4th 11:34 pm
DaniilKh
Running NWChem
ECCE write permissions
Started By : Holyone2
4 1994 Nov 4th 1:59 am
Holyone2
General ECCE Topics
Compiling NWChem with ARMCI_NETWORK=MPI-TS
Started By : Tfjermestad
10 5080 Nov 4th 1:44 am
Tfjermestad
Compiling NWChem
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