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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1087 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
ZORA fails with external point charges
Started By : Jacekj
1 845 Mar 4th 12:24 pm
Edoapra
Car-Parrinello MD calculation problem
Started By : Amir physicalchemist
0 645 Mar 4th 6:00 am
Amir physicalchemist
quickest way to generate mm charges?
Started By : Yahcen
1 1166 Mar 1st 5:14 pm
Tjerk
prepare error
Started By : Bme
1 691 Mar 1st 5:10 pm
Tjerk
md error
Started By : Lorenzodona
1 792 Mar 1st 5:08 pm
Tjerk
segmentation fault running md example
Started By : Lorenzodona
1 806 Mar 1st 5:05 pm
Tjerk
Probllems with MD module
Started By : Anastasia.phys
1 902 Mar 1st 5:02 pm
Tjerk
module Analyze
Started By : Anastasia.phys
1 797 Mar 1st 4:46 pm
Tjerk
Problems with frequency calculations
Started By : Rasmus
1 903 Feb 29th 10:12 am
Sean
Segmentation Fault
Started By : Bikash
6 1313 Feb 26th 6:37 pm
Bikash
nwpw band energy problem.
Started By : Nesquik91
0 621 Feb 22nd 9:27 pm
Nesquik91
6.6 cosmo segmentation violation
Started By : Ivo
6 1137 Feb 22nd 9:12 am
Ivo
initial path with neb
Started By : Heully
0 663 Feb 20th 12:42 am
Heully
Junk.xxx files keep rewriting
Started By : Olanky
4 1365 Feb 19th 8:42 am
Olanky
Raman - no failure report without damping
Started By : Manfred
8 1879 Feb 17th 5:11 pm
Manfred
(Solved) Energy increases with task dft optimize
Started By : Dongsunyoo
2 833 Feb 16th 5:46 pm
Dongsunyoo
Using Long Range Corrected DFT Functionals
Started By : Hodg4890
2 644 Feb 15th 4:12 pm
Hodg4890
Segmentation Violation error / ARMCI DASSERT fail
Started By : Cgaul
5 2022 Feb 15th 6:40 am
Ivo
geometry optimization - Load of old vectors failed
Started By : Stanos4
2 833 Feb 11th 3:09 am
Stanos4
CDFT and CGMIN ???
Started By : Acapobia
0 549 Feb 10th 1:32 pm
Acapobia
Transition state search from frequency calculation
Started By : Rasmus
3 980 Feb 9th 3:07 am
Rasmus
No geometry and basis in the database
Started By : Kayahan
6 1237 Feb 8th 3:02 pm
Kayahan
Problems in steric energy calculation
Started By : Alison.pacheco
2 764 Feb 3rd 4:16 pm
Alison.pacheco
removing constraints after constrained optimization
Started By : Rasmus
1 647 Feb 3rd 5:05 am
Rasmus
available GA memory not enough?
Started By : Sbbfifa
2 951 Jan 28th 1:04 pm
Sbbfifa

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