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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1377 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
module Analyze
Started By : Anastasia.phys
1 835 Mar 1st 4:46 pm
Tjerk
Problems with frequency calculations
Started By : Rasmus
1 960 Feb 29th 10:12 am
Sean
Segmentation Fault
Started By : Bikash
6 1373 Feb 26th 6:37 pm
Bikash
nwpw band energy problem.
Started By : Nesquik91
0 647 Feb 22nd 9:27 pm
Nesquik91
6.6 cosmo segmentation violation
Started By : Ivo
6 1198 Feb 22nd 9:12 am
Ivo
initial path with neb
Started By : Heully
0 695 Feb 20th 12:42 am
Heully
Junk.xxx files keep rewriting
Started By : Olanky
4 1412 Feb 19th 8:42 am
Olanky
Raman - no failure report without damping
Started By : Manfred
8 1975 Feb 17th 5:11 pm
Manfred
(Solved) Energy increases with task dft optimize
Started By : Dongsunyoo
2 898 Feb 16th 5:46 pm
Dongsunyoo
Using Long Range Corrected DFT Functionals
Started By : Hodg4890
2 675 Feb 15th 4:12 pm
Hodg4890
Segmentation Violation error / ARMCI DASSERT fail
Started By : Cgaul
5 2097 Feb 15th 6:40 am
Ivo
geometry optimization - Load of old vectors failed
Started By : Stanos4
2 896 Feb 11th 3:09 am
Stanos4
CDFT and CGMIN ???
Started By : Acapobia
0 574 Feb 10th 1:32 pm
Acapobia
Transition state search from frequency calculation
Started By : Rasmus
3 1058 Feb 9th 3:07 am
Rasmus
No geometry and basis in the database
Started By : Kayahan
6 1298 Feb 8th 3:02 pm
Kayahan
Problems in steric energy calculation
Started By : Alison.pacheco
2 809 Feb 3rd 4:16 pm
Alison.pacheco
removing constraints after constrained optimization
Started By : Rasmus
1 692 Feb 3rd 5:05 am
Rasmus
available GA memory not enough?
Started By : Sbbfifa
2 1028 Jan 28th 1:04 pm
Sbbfifa
Orbital swap with spin orbit DFT
Started By : Asu
0 615 Jan 27th 8:46 am
Asu
Difficulties offloading the ccsd calculation with Xeon Phi
Started By : Glaws003
2 1354 Jan 26th 3:33 am
Glaws003
Wrong format for small values in cube files created by dplot
Started By : Futofuji
4 1524 Jan 22nd 1:01 pm
Futofuji
running problem in windows 10
Started By : Abhay ms
1 813 Jan 20th 12:57 pm
Edoapra
Problem with running NWChem-6.5 in parallel
Started By : Deltazheng
0 583 Jan 19th 5:28 am
Deltazheng
Simple scf optimization with simple basis set
Started By : 4rhanes
1 740 Jan 15th 4:54 pm
Mernst
NWCHEM Error - pseudopotential is not correctly formatted
Started By : Rahulsng
0 622 Jan 14th 3:49 pm
Rahulsng

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