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Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting.
Started By : Bert
0 1781 Feb 2nd 7:13 pm
Bert

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Thread Title Replies Views Last Action
6-311g(3d,3p)
Started By : PhiJ
0 505 Sep 19th 4:50 am
PhiJ
NWCHEM_BASIS_LIBRARY not defined in bin/nwdef.csh
Started By : Guest -
4 2531 Sep 15th 9:01 pm
Guest -
problem encountered when running prepare
Started By : Wxu
6 742 Sep 7th 10:10 am
Shmakov I. A.
Dielectric Properties at MP2 and CCSD(T) level of theory
Started By : Guest -
5 602 Sep 6th 9:43 am
Bert
basis libraries in nwchem
Started By : Guest -
1 491 Sep 2nd 3:11 pm
Bert
Fail to run 2 example jobs
Started By : Chiensh
2 588 Aug 31st 9:38 am
Guest -
Convergence of LR-CCSD calculation
Started By : Vvgobre
2 317 Aug 23rd 11:24 am
Vvgobre
NWPW Optimization Fail to Converge for a Tutorial Job
Started By : Chiensh
3 526 Aug 19th 4:56 pm
Guest -
ARMCI issues while running
Started By : Ssk87
3 515 Aug 19th 3:21 pm
Bert
Problem of running NWchem6.0
Started By : C00jsh00
1 428 Aug 16th 4:55 pm
C00jsh00
Difficulties using the esp module
Started By : Guest -
2 485 Aug 16th 9:39 am
Guest -
ARMCI infiniband issues x86 intel
Started By : Ssk87
4 731 Aug 9th 12:27 pm
Ssk87
Breaking symmetry in DFT singlet state calculation
Started By : Guest -
7 1084 Jul 26th 6:09 am
Guest -
Input file for GaAs geometry optimization
Started By : Guest -
10 644 Jul 18th 2:28 pm
Bert
NWChem over Gigabit Ethernet
Started By : Guest -
3 493 Jul 18th 2:08 pm
Bert
CDFT Jobs Failing After Running for Several Days
Started By : MCZoerb
1 629 Jul 6th 5:19 pm
Bert
Armci error 260 cond:0
Started By : Annaj
12 2307 Jul 6th 3:24 pm
Bert
dft scf convergence problem
Started By : Guest -
1 475 Jun 27th 2:36 pm
Niri
Welcome..
Started By : WikiSysop
2 397 Jun 9th 3:46 pm
Marco.stenta
Bad scalability for PW and CPMD calculation on a SGI machine & a benchmark input is needed
Started By : Chiensh
0 344 Jun 5th 7:15 pm
Chiensh
ga_get2eri - cannot allocate buf error
Started By : Guest -
2 1189 May 17th 10:44 am
Guest -
Molecular dynamics example
Started By : Diegoarmino
1 436 May 10th 2:49 pm
Diegoarmino
Molecule explodes when running quantum (Born-Oppenheimer) molecular dynamics in parallel
Started By : Diegoarmino
0 406 May 10th 12:05 pm
Diegoarmino
Running NWCHEM on 2 processors
Started By : Apacheco
0 707 May 10th 6:45 am
Apacheco
QA test fail on the current SVN development version
Started By : Guest -
1 498 May 5th 1:30 pm
Bert

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