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Announcement's	Replies	Views	Last Action
Bug in Raman code Started By : Sean	0	1299	Feb 2nd 6:45 pm Sean
NWChem 6.6: bug in geometry optimization Started By : Edoapra	0	1317	Jan 28th 2:50 pm Edoapra
Sticky: NWChem 6.6 available for download Started By : Edoapra	0	4746	Oct 20th 4:12 pm Edoapra

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Thread Title	Replies	Views	Last Action
frequencies: no mirroring in shellfockbld Started By : Dudektria	5	166	Nov 29th 4:41 pm Dudektria
Problem with runnig Nwchem in Linux Mint 18 Started By : Hal	3	198	Nov 21st 11:43 am Hal
About the PBE0 optimization! Why cannot it continue? Is there any error in the input file? Started By : Greatqi	9	202	Nov 11th 10:20 am Edoapra
Problem with number of atoms in BSSE DFT calculations Started By : Orestis	2	129	Nov 10th 11:40 am Orestis
converged movecs and number of parallel processes Started By : Zyzhang	2	141	Nov 9th 7:38 pm Edoapra
Bug during b3lyp optimization Started By : Rintontin	13	292	Nov 8th 6:00 pm Edoapra
Docker container for nwchem. Started By : Vladimir	2	261	Oct 28th 12:41 am Vladimir
B3LYP-D3(BJ) support for X atoms Started By : Statics	2	280	Oct 18th 10:32 am Statics
vrange nnbf - Out of memory events? Started By : ClickChemist	4	334	Sep 22nd 12:13 pm ClickChemist
problem about the setting temperature in car parrinello iteration Started By : Zhenjiang	3	553	Sep 22nd 7:13 am Lujb15
running ccsd(t) yields ccsd_t communication error Started By : Fulvio.ciriaco	3	410	Sep 21st 3:18 pm Jhammond
restart tce ccsd(t) geometry optimization Started By : Tranvantan	1	398	Sep 21st 3:16 pm Jhammond
2emet and initial wf from DFT Started By : Obm	2	196	Sep 21st 2:58 pm Jhammond
NWChem suddenly started to crash with SIGSEGV. Started By : Douraku	3	607	Sep 21st 2:54 pm Jhammond
"ccsd_t: MA error sgl" Started By : Chiensh	6	233	Sep 21st 2:36 pm Jhammond
generation of log file Started By : Satvinder singh	1	174	Sep 6th 9:07 am Sean
how to fix cookie missing error-nwchem_6.0 Started By : Neo	0	164	Sep 2nd 12:45 am Neo
Selected CI from a previous MCSCF computation error - 2 Started By : Himadride	0	173	Aug 28th 7:20 am Himadride
"rtdb_open old failed" on BG/Q when old rtdb file exists Started By : Buchwj	2	190	Aug 26th 2:05 pm Edoapra
Selected CI from a previous MCSCF computation error Started By : Himadride	0	148	Aug 25th 9:53 pm Himadride
"shm_create" problem running on parallel nodes Started By : Maxjr	10	241	Aug 18th 2:22 pm Edoapra
Error in IR calculation Started By : Satvinder singh	1	181	Aug 11th 9:44 am Edoapra
incosistent DFT energies Started By : Afdemoura	2	172	Aug 10th 5:48 am Afdemoura
trouble with M06-2X Started By : Faklerus	6	209	Aug 1st 3:22 am Faklerus
DPLOT errors, movecs question Started By : Checksum	3	295	Jul 28th 12:36 pm Sean

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