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

Jump to page 1Prev 2513141516171819Next 25Last
Thread Title Replies Views Last Action
Multicore convergence problem
8 1546 Dec 26th 3:44 pm
Extremis
Program received signal SIGSEGV
0 1196 Dec 23rd 12:24 am
Neo
error with pd and its STO input and output, Should I add "vectors output h2o.mo"Thank you very much!
6 1242 Dec 1st 4:16 pm
Edoapra
Ri-DFT deviations and error with gradient calculation
3 2260 Dec 1st 3:40 pm
Edoapra
RT-TDDFT with water (based on a tutorial) not working
5 1826 Nov 30th 2:04 pm
Dudektria
frequencies: no mirroring in shellfockbld
5 1522 Nov 29th 4:41 pm
Dudektria
Problem with runnig Nwchem in Linux Mint 18
3 1404 Nov 21st 11:43 am
Hal
About the PBE0 optimization! Why cannot it continue? Is there any error in the input file?
9 1471 Nov 11th 10:20 am
Edoapra
Problem with number of atoms in BSSE DFT calculations
2 979 Nov 10th 11:40 am
Orestis
converged movecs and number of parallel processes
2 988 Nov 9th 7:38 pm
Edoapra
Bug during b3lyp optimization
13 1799 Nov 8th 6:00 pm
Edoapra
Docker container for nwchem.
2 2975 Oct 28th 12:41 am
Vladimir
B3LYP-D3(BJ) support for X atoms
2 2568 Oct 18th 10:32 am
Statics
vrange nnbf - Out of memory events?
4 1586 Sep 22nd 12:13 pm
ClickChemist
problem about the setting temperature in car parrinello iteration
3 1767 Sep 22nd 7:13 am
Lujb15
running ccsd(t) yields ccsd_t communication error
3 1609 Sep 21st 3:18 pm
Jhammond
restart tce ccsd(t) geometry optimization
1 1641 Sep 21st 3:16 pm
Jhammond
2emet and initial wf from DFT
2 1277 Sep 21st 2:58 pm
Jhammond
NWChem suddenly started to crash with SIGSEGV.
3 2662 Sep 21st 2:54 pm
Jhammond
"ccsd_t: MA error sgl"
6 1696 Sep 21st 2:36 pm
Jhammond
generation of log file
1 1126 Sep 6th 9:07 am
Sean
how to fix cookie missing error-nwchem_6.0
0 1262 Sep 2nd 12:45 am
Neo
Selected CI from a previous MCSCF computation error - 2
0 893 Aug 28th 7:20 am
Himadride
"rtdb_open old failed" on BG/Q when old rtdb file exists
2 1317 Aug 26th 2:05 pm
Edoapra
Selected CI from a previous MCSCF computation error
0 851 Aug 25th 9:53 pm
Himadride

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2513141516171819Next 25Last