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General Convergence Issues with NWChem
Started By : Bmatson
4 1008 Dec 15th 2:06 pm
Bmatson
Running NWChem
Raman Calculation Crashes
Started By : Sutton101
4 632 Dec 14th 5:04 pm
Sutton101
Running NWChem
Convergence problem with tiny molecule
Started By : Acorreya
5 1199 Dec 12th 1:29 am
Xiongyan21
Running NWChem
Wall time vs CPU time
Started By : Frank.ramirez
8 874 Dec 10th 10:17 am
Frank.ramirez
General Topics
COSMO_Intialize: goem_cart_get_failed.
Started By : Bmatson
2 1046 Dec 9th 8:21 pm
Edoapra
NWChem functionality
compilation problem with nwchem-rev26871.2015-02-24
Started By : Jtravers
5 1725 Dec 9th 10:29 am
Edoapra
Compiling NWChem
Large couplings for ET calcs
Started By : Cchang
9 3396 Dec 6th 8:46 am
YALDA88
Running NWChem
Compiling NWCHEM in a local university cluster
Started By : Rahulsng
3 1058 Dec 6th 7:32 am
YALDA88
Compiling NWChem
Error related to specified geometry - Calculation failed to converge
Started By : It97331
2 785 Dec 4th 12:31 pm
It97331
Running NWChem
Cosmo Initialization
Started By : Tsenf
2 1310 Dec 3rd 3:20 pm
Tsenf
NWChem functionality
SFT SCF Convergence Issues
Started By : Brose
2 841 Dec 3rd 7:02 am
Brose
General Topics
Ga library for compiling nwchem 6.6
Started By : Nsapiens
2 722 Dec 2nd 3:46 am
Nsapiens
Compiling NWChem
Linking problem with NWChem 6.6, Intel compilers and Infiniband
Started By : Valtandor
3 1080 Dec 1st 11:58 am
Valtandor
Compiling NWChem
H2 @ direct CCSD(T)/6-31G* fails
Started By : Drhaney
5 1345 Nov 29th 11:30 am
Drhaney
Feedback
Problems in compiling NWChem
Started By : Alessandro.chiesa
14 1385 Nov 29th 8:25 am
Alessandro.chiesa
Compiling NWChem
Accessing electron density from dplot via python
Started By : Mjw99
10 1898 Nov 26th 4:50 am
Mjw99
General Topics
CIS v. RPA in TDDFT calculations
Started By : Giaccai
1 1140 Nov 23rd 6:54 pm
Edoapra
General Topics
too many arguments error
Started By : LJ
8 2571 Nov 23rd 1:03 pm
Edoapra
Compiling NWChem
Is extraction of dipole moments from real-time TDDFT a Python command?1 2
Started By : Xiongyan21
30 5296 Nov 22nd 8:18 am
Mohammad hasan
Running NWChem
VSXC DFT-functional didn't work
Started By : Vladimir
1 824 Nov 16th 8:04 am
Edoapra
Running NWChem
Memory-related failures in QA
Started By : Cchang
1 702 Nov 12th 5:29 pm
Edoapra
Compiling NWChem
warning: error on integrated density
Started By : Guest -
3 2320 Nov 11th 10:02 am
Edoapra
Running NWChem
Running NWChem on 2 nodes takes more time than a single node
Started By : Extremis
5 1184 Nov 10th 8:58 am
Extremis
Running NWChem
NWchem6.6 on OpenSUSE compile fails: ld: cannot find -lga -larmci
Started By : Hhaoissp
2 1508 Nov 9th 7:18 pm
Hhaoissp
Compiling NWChem
nwchem memory usage
Started By : Zyzhang
1 1035 Nov 5th 6:08 pm
Edoapra
Running NWChem
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