Running NWChem

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Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean
0 1903 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1969 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5472 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
Selected CI from a previous MCSCF computation error
Started By : Himadride
0 235 Aug 25th 9:53 pm
Himadride
"shm_create" problem running on parallel nodes
Started By : Maxjr
10 421 Aug 16th 6:29 am
Maxjr
Error in IR calculation
Started By : Satvinder singh
1 309 Aug 11th 9:44 am
Edoapra
incosistent DFT energies
Started By : Afdemoura
2 280 Aug 10th 5:48 am
Afdemoura
trouble with M06-2X
Started By : Faklerus
6 398 Aug 1st 3:22 am
Faklerus
DPLOT errors, movecs question
Started By : Checksum
3 474 Jul 28th 12:36 pm
Sean
How to calculate polarizability
Started By : NWfmohri
4 506 Jul 27th 5:14 pm
NWfmohri
running Nwchem in parallel
Started By : Neo
4 467 Jul 27th 9:55 am
Neo
How to specify TZ (Dunning) in an input file.
Started By : NWfmohri
3 306 Jul 18th 8:47 am
Sean
Error in Geometry Optimization
Started By : Natalia
5 360 Jul 14th 1:59 pm
Edoapra
CDFT for dimer calculation
Started By : Xw213
1 364 Jul 9th 8:48 am
Jarvist
DFT running problem.
Started By : Nesquik91
0 297 Jul 8th 12:17 am
Nesquik91
ERROR IN DFT OPTIMIZATION JOB
Started By : Satvinder
2 416 Jul 6th 8:46 pm
Satvinder singh
Negative excitation energies with active-space CR-EOMCCSD
Started By : Ewa
0 310 Jun 27th 7:58 am
Ewa
nfreq failed in task raman
Started By : RamanRamanRaman
2 335 Jun 25th 11:15 pm
RamanRamanRaman
problem running on periodic system
Started By : Lorenzodona91
0 256 Jun 23rd 8:36 am
Lorenzodona91
Error in prepare task.
Started By : CFGrote
0 317 Jun 23rd 1:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
Started By : Egarr93
2 292 Jun 22nd 8:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
Started By : Zhenjiang
2 355 Jun 22nd 11:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 376 Jun 20th 1:19 pm
Fcannini
Electron transfer based on CDFT
Started By : P.partovi
0 356 Jun 18th 5:14 am
P.partovi
making the movecs file visual?
Started By : Zhenjiang
2 358 Jun 15th 9:48 am
Zhenjiang
Problem in band_dplot
Started By : Zhenjiang
3 253 Jun 15th 8:56 am
Zhenjiang
insuff stack error in running job
Started By : Satvinder singh
1 597 Jun 14th 10:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
Started By : Amadpokabir888
0 448 Jun 13th 6:26 am
Debashree

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