Running NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1626 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
"shm_create" problem running on parallel nodes
Started By : Maxjr
10 838 Aug 16th 5:29 am
Maxjr
Error in IR calculation
Started By : Satvinder singh
1 636 Aug 11th 8:44 am
Edoapra
incosistent DFT energies
Started By : Afdemoura
2 579 Aug 10th 4:48 am
Afdemoura
trouble with M06-2X
Started By : Faklerus
6 911 Aug 1st 2:22 am
Faklerus
DPLOT errors, movecs question
Started By : Checksum
3 984 Jul 28th 11:36 am
Sean
How to calculate polarizability
Started By : NWfmohri
4 1100 Jul 27th 4:14 pm
NWfmohri
running Nwchem in parallel
Started By : Neo
4 933 Jul 27th 8:55 am
Neo
How to specify TZ (Dunning) in an input file.
Started By : NWfmohri
3 560 Jul 18th 7:47 am
Sean
Error in Geometry Optimization
Started By : Natalia
5 776 Jul 14th 12:59 pm
Edoapra
CDFT for dimer calculation
Started By : Xw213
1 697 Jul 9th 7:48 am
Jarvist
DFT running problem.
Started By : Nesquik91
0 579 Jul 7th 11:17 pm
Nesquik91
ERROR IN DFT OPTIMIZATION JOB
Started By : Satvinder
2 745 Jul 6th 7:46 pm
Satvinder singh
Negative excitation energies with active-space CR-EOMCCSD
Started By : Ewa
0 600 Jun 27th 6:58 am
Ewa
nfreq failed in task raman
Started By : RamanRamanRaman
2 702 Jun 25th 10:15 pm
RamanRamanRaman
problem running on periodic system
Started By : Lorenzodona91
0 495 Jun 23rd 7:36 am
Lorenzodona91
Error in prepare task.
Started By : CFGrote
0 711 Jun 23rd 12:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
Started By : Egarr93
2 575 Jun 22nd 7:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
Started By : Zhenjiang
2 688 Jun 22nd 10:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 702 Jun 20th 12:19 pm
Fcannini
Electron transfer based on CDFT
Started By : P.partovi
0 821 Jun 18th 4:14 am
P.partovi
making the movecs file visual?
Started By : Zhenjiang
2 623 Jun 15th 8:48 am
Zhenjiang
Problem in band_dplot
Started By : Zhenjiang
3 475 Jun 15th 7:56 am
Zhenjiang
insuff stack error in running job
Started By : Satvinder singh
1 1123 Jun 14th 9:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
Started By : Amadpokabir888
0 661 Jun 13th 5:26 am
Debashree
Erros calculating the raman spectra
Started By : Alarcj
1 1481 Jun 6th 12:30 pm
Alarcj

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