Running NWChem

From NWChem

Topics related to running NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
bse.pnl.gov replaced by www.basissetexchange.org. Forum closed
Started By : Edoapra
0 283 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2756 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 2522232425262728Next 25Last
Thread Title Replies Views Last Action
periodic boundary conditions (pbc)
Started By : Fariba4
0 1062 Aug 20th 7:04 am
Fariba4
Reference coordinates
Started By : Fariba4
0 1007 Aug 12th 12:00 am
Fariba4
Using SGE's TMPDIR?
Started By : Rkanters
1 1550 Aug 11th 1:47 pm
Edoapra
Error starting first running
Started By : Yenner
2 6586 Aug 6th 12:27 pm
Yenner
xdm and total energy
Started By : Heully
2 1731 Jul 24th 3:34 am
Heully
Question about charge difference density and transition density!
Started By : Ylniu
4 3126 Jul 23rd 9:43 am
Edoapra
a problem in memory settings
Started By : Shiraw
0 872 Jul 20th 5:26 am
Shiraw
DFT Frequency Analysis failing on Infiniband Cluster
Started By : Aguevara
9 2551 Jul 18th 4:23 pm
Edoapra
Running QM/MM calculation by charmm on ubuntu 12.04
Started By : Varnon
10 4156 Jul 16th 7:06 pm
Zll
NEB problem
Started By : Pavlo4
4 1566 Jul 15th 8:36 am
Pavlo4
Solvent
Started By : Fariba4
0 1078 Jul 8th 11:38 pm
Fariba4
Periodic systems
Started By : Fariba4
0 1013 Jul 8th 11:34 pm
Fariba4
BSSE monomers with different multiplicity
Started By : Guillaume
2 1863 Jul 7th 7:03 am
Guillaume
defining multi-atom monomers for BSSE
Started By : Neo
0 1237 Jul 7th 5:00 am
Neo
Freq calculation fails
Started By : Sollebac
2 1422 Jun 27th 2:56 pm
Sollebac
parameter ot of range in legendre_lm
Started By : Davijosh
3 1331 Jun 27th 10:18 am
Mernst
Error in NICS computation - hnd_giaox: geom_tag_to_element failed
Started By : Englebip
4 1605 Jun 25th 4:32 pm
Huub
Problem about plot of molecular orbital
Started By : Gvtheen
1 1309 Jun 25th 1:57 pm
Huub
Error restarting an optimisation
Started By : Ummacles
2 1037 Jun 24th 2:38 pm
Ummacles
running CCSD(T) using TCE, ARMCI DASSERT fail
Started By : Zfang
4 1590 Jun 16th 6:48 am
Obm
rt-tddft silently refuses to restart,
Started By : Obm
1 2092 Jun 15th 4:48 am
Obm
Is it possible to use CAM-PBE0 with Real Time TDDFT?
Started By : Obm
0 1340 Jun 13th 8:05 am
Obm
Problems with parallel scaling
Started By : Stachon
3 1732 Jun 12th 11:10 pm
Vladimir
Spin-Orbit potential
Started By : Dan
2 1368 Jun 5th 8:13 pm
Dan
armci_malloc:malloc 1 failed
Started By : Vladimir
7 3008 Jun 5th 6:10 pm
Vladimir

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2522232425262728Next 25Last



Who's here now Members 0 Guests 1 Bots/Crawler 12


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC