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
uninterruptible sleep in the calculations	2	1545	Dec 18th 7:50 pm Skipper
Problem with exporting Pseudopotential libraries	1	1852	Dec 6th 4:18 pm Huub
Running MRCC	1	1792	Dec 4th 10:32 am Edoapra
Pneb_w_diag: ZHEEV failed	1	2174	Dec 1st 8:03 pm Tholme
Problems using cgmin with COSMO and also with charge density fitting.	0	1901	Nov 28th 5:40 am Rmera
swapping alphas with betas	2	1770	Nov 27th 8:35 pm Adampelzer
clearing shared memory from unterminated processes	3	13827	Nov 27th 12:49 pm Tpirojsi
parameter ot of range in legendre_lm	0	1548	Nov 22nd 9:43 am Jbaltrus
units of cutoff in NWPW	0	1533	Nov 22nd 4:58 am Jbaltrus
Input file errors; unexplained error messages	2	2156	Nov 19th 1:22 pm Tholme
qmmm fep and qmmm NEB modules failed in nwchem 6.3	0	1838	Nov 12th 12:27 am Tpirojsi
Suggested values for ewald_ncut and ewald_rcut	0	1636	Nov 9th 1:46 pm Tholme
getting started with NWCHEM	4	1547	Nov 6th 6:13 am Freddy
CPHF error: "could not allocate g_fock 555"	2	2336	Nov 5th 12:34 am DaniilKh
Nwchem is different from molpro in HF calculation about small atoms	0	1282	Nov 2nd 3:25 am Sunnybunny
error "geom_input: too many centers? 3000"	1	1618	Nov 1st 9:33 am Edoapra
Error in CPHF module during SCF hessian calculaciton	0	1633	Oct 30th 4:19 pm DaniilKh
embed charges bq in NWCHEM	1	2193	Oct 29th 3:49 pm Niri
pseudopotential is not correctly formatted:O.vpp	0	1849	Oct 29th 2:56 am Sravankumarkb
potential energy scan over a bond fails	1	2536	Oct 28th 12:01 pm Edoapra
"dft_input: unknown directive" in ONIOM jobs	1	2507	Oct 28th 11:38 am Edoapra
hnd_opt: no geometry 911 error	1	1889	Oct 28th 8:29 am Edoapra
error : sym_center_map is inconsistent with requested accuracy	0	1911	Oct 25th 11:13 am Sravankumarkb
kr_malloc failed	4	2133	Oct 22nd 1:33 am Jbaltrus
minimizing the forces on some atoms in the geometry	0	1377	Oct 21st 9:09 am Sravankumarkb

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