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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1883 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
problem in calculating mulliken charge
Started By : Zhenjiang
1 1155 Mar 15th 7:36 am
Sean
ZORA fails with external point charges
Started By : Jacekj
1 944 Mar 4th 11:24 am
Edoapra
Car-Parrinello MD calculation problem
Started By : Amir physicalchemist
0 755 Mar 4th 5:00 am
Amir physicalchemist
quickest way to generate mm charges?
Started By : Yahcen
1 1266 Mar 1st 4:14 pm
Tjerk
prepare error
Started By : Bme
1 793 Mar 1st 4:10 pm
Tjerk
md error
Started By : Lorenzodona
1 897 Mar 1st 4:08 pm
Tjerk
segmentation fault running md example
Started By : Lorenzodona
1 908 Mar 1st 4:05 pm
Tjerk
Probllems with MD module
Started By : Anastasia.phys
1 1022 Mar 1st 4:02 pm
Tjerk
module Analyze
Started By : Anastasia.phys
1 934 Mar 1st 3:46 pm
Tjerk
Problems with frequency calculations
Started By : Rasmus
1 1068 Feb 29th 9:12 am
Sean
Segmentation Fault
Started By : Bikash
6 1496 Feb 26th 5:37 pm
Bikash
nwpw band energy problem.
Started By : Nesquik91
0 704 Feb 22nd 8:27 pm
Nesquik91
6.6 cosmo segmentation violation
Started By : Ivo
6 1309 Feb 22nd 8:12 am
Ivo
initial path with neb
Started By : Heully
0 751 Feb 19th 11:42 pm
Heully
Junk.xxx files keep rewriting
Started By : Olanky
4 1474 Feb 19th 7:42 am
Olanky
Raman - no failure report without damping
Started By : Manfred
8 2159 Feb 17th 4:11 pm
Manfred
(Solved) Energy increases with task dft optimize
Started By : Dongsunyoo
2 1007 Feb 16th 4:46 pm
Dongsunyoo
Using Long Range Corrected DFT Functionals
Started By : Hodg4890
2 729 Feb 15th 3:12 pm
Hodg4890
Segmentation Violation error / ARMCI DASSERT fail
Started By : Cgaul
5 2189 Feb 15th 5:40 am
Ivo
geometry optimization - Load of old vectors failed
Started By : Stanos4
2 1027 Feb 11th 2:09 am
Stanos4
CDFT and CGMIN ???
Started By : Acapobia
0 624 Feb 10th 12:32 pm
Acapobia
Transition state search from frequency calculation
Started By : Rasmus
3 1196 Feb 9th 2:07 am
Rasmus
No geometry and basis in the database
Started By : Kayahan
6 1430 Feb 8th 2:02 pm
Kayahan
Problems in steric energy calculation
Started By : Alison.pacheco
2 858 Feb 3rd 3:16 pm
Alison.pacheco
removing constraints after constrained optimization
Started By : Rasmus
1 768 Feb 3rd 4:05 am
Rasmus

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