Running NWChem

Announcement's	Replies	Views	Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	13620	Dec 14th 2:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
VENUS/NWChem Job crashes util_jacobi: ierr 1	0	2016	Sep 24th 1:17 pm Bdatko
obtaining wavefunctions from dplot	1	1796	Aug 31st 9:28 am Mpjohans
Incomplete EXTRA_LIBS for LINUX64 target	3	1888	Aug 30th 11:25 pm Vladimir
Raman intensities in version 6.1 and 6.3 differ	3	1875	Aug 26th 5:06 pm Niri
solvent in MD	0	1421	Aug 24th 7:37 am Saeed1
peneteration	0	1403	Aug 24th 7:31 am Saeed1
a	0	1035	Aug 24th 7:23 am Saeed1
ccsd: nopen is not zero 1	2	1764	Aug 23rd 7:39 pm Mernst
shake	0	1270	Aug 20th 7:49 am Fariba4
periodic boundary conditions (pbc)	0	1238	Aug 20th 7:04 am Fariba4
Reference coordinates	0	1173	Aug 12th 12:00 am Fariba4
Using SGE's TMPDIR?	1	1732	Aug 11th 1:47 pm Edoapra
Error starting first running	2	7468	Aug 6th 12:27 pm Yenner
xdm and total energy	2	1999	Jul 24th 3:34 am Heully
Question about charge difference density and transition density!	4	3725	Jul 23rd 9:43 am Edoapra
a problem in memory settings	0	989	Jul 20th 5:26 am Shiraw
DFT Frequency Analysis failing on Infiniband Cluster	9	2730	Jul 18th 4:23 pm Edoapra
Running QM/MM calculation by charmm on ubuntu 12.04	10	4530	Jul 16th 7:06 pm Zll
NEB problem	4	1878	Jul 15th 8:36 am Pavlo4
Solvent	0	1240	Jul 8th 11:38 pm Fariba4
Periodic systems	0	1155	Jul 8th 11:34 pm Fariba4
BSSE monomers with different multiplicity	2	2314	Jul 7th 7:03 am Guillaume
defining multi-atom monomers for BSSE	0	1384	Jul 7th 5:00 am Neo
Freq calculation fails	2	1787	Jun 27th 2:56 pm Sollebac
parameter ot of range in legendre_lm	3	1527	Jun 27th 10:18 am Mernst

Forum >> NWChem's corner >> Running NWChem

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