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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1721 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
error running nwchem_openmpi in parallel
Started By : Rasmus
2 7179 Mar 31st 12:34 am
Rasmus
BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
Started By : Satvinder singh
3 5339 Mar 30th 12:19 pm
Edoapra
Excited state geometry optimization
Started By : Amir physicalchemist
0 672 Mar 25th 12:19 pm
Amir physicalchemist
Frequency problem!!!!!!!!!!!
Started By : Miblyf
1 812 Mar 24th 9:07 am
Sean
Concatenating input files changes the Electron Transfer Coupling Energy
Started By : Tkemper
0 780 Mar 21st 10:10 am
Tkemper
Minnesota density functionals crash w/NWXC and shielding properties
Started By : Mernst
1 1846 Mar 16th 5:43 pm
Edoapra
Problem with numerical frequency calculation
Started By : Olanky
2 1409 Mar 16th 1:56 pm
Olanky
XC functionals in PSPW
Started By : Godzilla
0 648 Mar 16th 12:16 pm
Godzilla
Copper calculation with ECP
Started By : Godzilla
0 886 Mar 16th 11:49 am
Godzilla
problem in calculating mulliken charge
Started By : Zhenjiang
1 1118 Mar 15th 7:36 am
Sean
ZORA fails with external point charges
Started By : Jacekj
1 926 Mar 4th 11:24 am
Edoapra
Car-Parrinello MD calculation problem
Started By : Amir physicalchemist
0 739 Mar 4th 5:00 am
Amir physicalchemist
quickest way to generate mm charges?
Started By : Yahcen
1 1244 Mar 1st 4:14 pm
Tjerk
prepare error
Started By : Bme
1 773 Mar 1st 4:10 pm
Tjerk
md error
Started By : Lorenzodona
1 881 Mar 1st 4:08 pm
Tjerk
segmentation fault running md example
Started By : Lorenzodona
1 888 Mar 1st 4:05 pm
Tjerk
Probllems with MD module
Started By : Anastasia.phys
1 998 Mar 1st 4:02 pm
Tjerk
module Analyze
Started By : Anastasia.phys
1 907 Mar 1st 3:46 pm
Tjerk
Problems with frequency calculations
Started By : Rasmus
1 1036 Feb 29th 9:12 am
Sean
Segmentation Fault
Started By : Bikash
6 1458 Feb 26th 5:37 pm
Bikash
nwpw band energy problem.
Started By : Nesquik91
0 688 Feb 22nd 8:27 pm
Nesquik91
6.6 cosmo segmentation violation
Started By : Ivo
6 1277 Feb 22nd 8:12 am
Ivo
initial path with neb
Started By : Heully
0 733 Feb 19th 11:42 pm
Heully
Junk.xxx files keep rewriting
Started By : Olanky
4 1457 Feb 19th 7:42 am
Olanky
Raman - no failure report without damping
Started By : Manfred
8 2103 Feb 17th 4:11 pm
Manfred

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