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
CCSD geometry optimization on the BSSE corrected surface!
 7 1677 Apr 1st 9:17 am
Chemje
error running nwchem_openmpi in parallel
 2 10335 Mar 31st 1:34 am
Rasmus
BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
 3 10629 Mar 30th 1:19 pm
Edoapra
Excited state geometry optimization
 0 965 Mar 25th 1:19 pm
Amir physicalchemist
Frequency problem!!!!!!!!!!!
 1 1240 Mar 24th 10:07 am
Sean
Concatenating input files changes the Electron Transfer Coupling Energy
 0 1061 Mar 21st 11:10 am
Tkemper
Minnesota density functionals crash w/NWXC and shielding properties
 1 2244 Mar 16th 6:43 pm
Edoapra
Problem with numerical frequency calculation
 2 2776 Mar 16th 2:56 pm
Olanky
XC functionals in PSPW
 0 972 Mar 16th 1:16 pm
Godzilla
Copper calculation with ECP
 0 1236 Mar 16th 12:49 pm
Godzilla
problem in calculating mulliken charge
 1 1815 Mar 15th 8:36 am
Sean
ZORA fails with external point charges
 1 1297 Mar 4th 12:24 pm
Edoapra
Car-Parrinello MD calculation problem
 0 1117 Mar 4th 6:00 am
Amir physicalchemist
quickest way to generate mm charges?
 1 1570 Mar 1st 5:14 pm
Tjerk
prepare error
 1 1118 Mar 1st 5:10 pm
Tjerk
md error
 1 1222 Mar 1st 5:08 pm
Tjerk
segmentation fault running md example
 1 1195 Mar 1st 5:05 pm
Tjerk
Probllems with MD module
 1 1399 Mar 1st 5:02 pm
Tjerk
module Analyze
 1 1272 Mar 1st 4:46 pm
Tjerk
Problems with frequency calculations
 1 1636 Feb 29th 10:12 am
Sean
Segmentation Fault
 6 1977 Feb 26th 6:37 pm
Bikash
nwpw band energy problem.
 0 970 Feb 22nd 9:27 pm
Nesquik91
6.6 cosmo segmentation violation
 6 1862 Feb 22nd 9:12 am
Ivo
initial path with neb
 0 1087 Feb 20th 12:42 am
Heully
Junk.xxx files keep rewriting
 4 1894 Feb 19th 8:42 am
Olanky

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