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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3140 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5239 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
error running nwchem_openmpi in parallel
Started By : Rasmus
2 9001 Mar 31st 1:34 am
Rasmus
BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
Started By : Satvinder singh
3 7721 Mar 30th 1:19 pm
Edoapra
Excited state geometry optimization
Started By : Amir physicalchemist
0 787 Mar 25th 1:19 pm
Amir physicalchemist
Frequency problem!!!!!!!!!!!
Started By : Miblyf
1 1007 Mar 24th 10:07 am
Sean
Concatenating input files changes the Electron Transfer Coupling Energy
Started By : Tkemper
0 914 Mar 21st 11:10 am
Tkemper
Minnesota density functionals crash w/NWXC and shielding properties
Started By : Mernst
1 2036 Mar 16th 6:43 pm
Edoapra
Problem with numerical frequency calculation
Started By : Olanky
2 1980 Mar 16th 2:56 pm
Olanky
XC functionals in PSPW
Started By : Godzilla
0 801 Mar 16th 1:16 pm
Godzilla
Copper calculation with ECP
Started By : Godzilla
0 1079 Mar 16th 12:49 pm
Godzilla
problem in calculating mulliken charge
Started By : Zhenjiang
1 1441 Mar 15th 8:36 am
Sean
ZORA fails with external point charges
Started By : Jacekj
1 1085 Mar 4th 12:24 pm
Edoapra
Car-Parrinello MD calculation problem
Started By : Amir physicalchemist
0 902 Mar 4th 6:00 am
Amir physicalchemist
quickest way to generate mm charges?
Started By : Yahcen
1 1404 Mar 1st 5:14 pm
Tjerk
prepare error
Started By : Bme
1 946 Mar 1st 5:10 pm
Tjerk
md error
Started By : Lorenzodona
1 1026 Mar 1st 5:08 pm
Tjerk
segmentation fault running md example
Started By : Lorenzodona
1 1038 Mar 1st 5:05 pm
Tjerk
Probllems with MD module
Started By : Anastasia.phys
1 1197 Mar 1st 5:02 pm
Tjerk
module Analyze
Started By : Anastasia.phys
1 1087 Mar 1st 4:46 pm
Tjerk
Problems with frequency calculations
Started By : Rasmus
1 1300 Feb 29th 10:12 am
Sean
Segmentation Fault
Started By : Bikash
6 1704 Feb 26th 6:37 pm
Bikash
nwpw band energy problem.
Started By : Nesquik91
0 818 Feb 22nd 9:27 pm
Nesquik91
6.6 cosmo segmentation violation
Started By : Ivo
6 1562 Feb 22nd 9:12 am
Ivo
initial path with neb
Started By : Heully
0 889 Feb 20th 12:42 am
Heully
Junk.xxx files keep rewriting
Started By : Olanky
4 1625 Feb 19th 8:42 am
Olanky
Raman - no failure report without damping
Started By : Manfred
8 2550 Feb 17th 5:11 pm
Manfred

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