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

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Thread Title	Replies	Views	Last Action
Error in DPlot: VIEW and nOrb > 1 conflict	1	503	Sep 9th 1:38 pm Edoapra
Can optical rotation calculation with dft use aug-cc-pvdz	1	439	Sep 5th 4:32 pm Xiongyan21
Problem using dispersion corrections (PBE-D4) in PSPW module	1	606	Aug 30th 9:20 am Florianj
SCF residual greater than 1d-2 error for Raman calculation	3	415	Aug 29th 10:01 am Edoapra
Post-treatment of water RT-TDDFT exercise	0	380	Aug 28th 8:08 am Mukkore
error load output with gabedit 2.5.0 nwchem 6.8	5	528	Aug 27th 9:24 am Edoapra
error load TDDFT output with gabedit 2.5.0 and nwchem 6.8	0	364	Aug 26th 9:11 am Marcel
I/O error for NWCHEM	1	471	Aug 21st 4:28 pm Edoapra
Local ECP potential is zero and ignored	4	1412	Aug 21st 9:17 am Edoapra
Problems with negative frequencies	4	1157	Aug 19th 3:07 pm Edoapra
cphf_solve2 issues for vibrational calculation in version 6.8.1	3	458	Aug 19th 9:47 am IGClayson
Negative frequency with MP2	0	396	Aug 17th 6:56 am Jcpkato
Can NWCHEM search MECP like GAMESS	2	442	Aug 15th 3:50 am Xiongyan21
scf input directive not recognized	0	317	Aug 8th 3:50 pm Alysonts
ioctl error when using nwchem with ase	1	470	Aug 5th 12:05 pm Edoapra
RT TDDFT Electric Field phase	0	343	Aug 5th 9:48 am Matrix2017
Memory Error	3	432	Aug 2nd 9:15 am Edoapra
Description of geometry in output file	1	401	Jul 31st 10:29 am Edoapra
error load output with gabedit 2.5.0 nwchem 6.8	0	0	Jul 30th 7:52 am Marcel
error load output with gabedit 2.5.0 nwchem 6.8	0	0	Jul 30th 7:50 am Marcel
error load output with gabedit 2.5.0 nwchem 6.8	0	0	Jul 30th 7:49 am Marcel
"cpsi_data_alloc: out of heap memory" error	0	392	Jul 27th 12:48 pm Sergbuto
Implicit solvent for plane wave dft?	0	313	Jul 26th 7:01 am Florianj
Optimization of H2O	2	495	Jul 23rd 6:16 pm Hong420
Electron transfer based on CDFT	1	1562	Jul 22nd 3:31 pm Nishat
SCF energy of the NWChem sample (H2O)	15	886	Jul 10th 6:31 pm Hong420

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