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Announcement's Replies Views Last Action
bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 4109 Jun 7th 3:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 6165 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
Help with large CCSD(T) Calculation
Started By : Kmclaugh
8 7083 Dec 24th 1:52 am
Neo
Problem in HWLOC
Started By : Semmen
7 3913 Dec 20th 2:07 am
Semmen
String method for three geoms
Started By : Pdpatel
0 1090 Dec 19th 11:29 am
Pdpatel
Error in running MEPGS calculation
Started By : Pdpatel
4 1947 Dec 19th 11:26 am
Pdpatel
ARMCI DASSERT fail for CCSD property job
Started By : Cnrowley
2 2282 Dec 10th 8:40 am
Jhammond
Dielectric Properties at MP2 and CCSD(T) level of theory
Started By : Guest -
6 4466 Dec 10th 8:35 am
Jhammond
TCE CCSD print "t2" output
Started By : Cchang
3 2307 Dec 10th 8:13 am
Jhammond
TCE - Problems with GA
Started By : CoolEsza
3 2124 Dec 10th 8:02 am
Jhammond
bas_tag_lib: tag does not refer to an atom
Started By : Neo
4 1752 Dec 10th 7:59 am
Neo
Does new version of NWCHEM provide T1 diagnostic for CC ?
Started By : Zfang
3 1663 Dec 10th 7:54 am
Jhammond
Cannot Increase GA Needed for Example ccsdt_polar_small
Started By : Xiongyan21
3 1311 Dec 10th 7:44 am
Jhammond
EOMCCSDT Calculation Does Not Reach Convergence Criteria
Started By : Xiongyan21
1 1428 Dec 8th 6:10 pm
Xiongyan21
NEB Gmax convergence question
Started By : Samw
6 1260 Dec 6th 11:55 pm
Samw
NWChem 6.5 Job crashes
Started By : Samw
5 2203 Dec 6th 11:45 pm
Samw
Error Running CPHF Module
Started By : Hde
14 2822 Dec 3rd 3:36 pm
Edoapra
Multiple Jobs in One File
Started By : Brose
4 1764 Dec 2nd 11:35 pm
Brose
multiplicity problem in open-shell dft
Started By : Neo
5 3899 Dec 2nd 5:51 am
Neo
Problem on running NWPW module
Started By : Zhangbh
0 1055 Nov 30th 6:32 pm
Zhangbh
current right signature 0 != proper right signature
Started By : Vladimir
3 2092 Nov 14th 10:10 pm
Vladimir
an error when running NWChem6.3
Started By : Liuwei
12 2401 Nov 13th 5:11 pm
Liuwei
Is it impossible to calculate excited state energies by TDDFT with Minnesota functionals?
Started By : Xiongyan21
0 1200 Nov 12th 6:48 am
Xiongyan21
Analytic 2nds not ready for these XC functionals error in TDDFT
Started By : Xiongyan21
3 1358 Nov 11th 8:29 pm
Xiongyan21
Test tce_mrcc_bwcc_subgroups already can pass by redefinition of subgroupsize n
Started By : Xiongyan21
2 1110 Nov 10th 6:56 pm
Xiongyan21
projecting small basis onto larger one
Started By : Gpw501
8 2903 Nov 7th 9:06 am
Edoapra
Test tce_mrcc_mkcc , tce_mrcc_bwcc and tce_cuda passed
Started By : Xiongyan21
0 1391 Nov 6th 6:56 pm
Xiongyan21

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