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no way to perform TS search
Started By : Jbaltrus 		1 968 Oct 11th 12:18 pm
Jbaltrus		 Running NWChem
optimization fluctuating and running out of cycles
Started By : Jbaltrus 		1 761 Oct 8th 1:37 pm
Jbaltrus		 General Topics
Pneb_w_diag: ZHEEV failed
Started By : Jbaltrus 		1 1190 Dec 1st 8:03 pm
Tholme		 Running NWChem
parameter ot of range in legendre_lm
Started By : Jbaltrus 		0 996 Nov 22nd 9:43 am
Jbaltrus		 Running NWChem
units of cutoff in NWPW
Started By : Jbaltrus 		0 928 Nov 22nd 4:58 am
Jbaltrus		 Running NWChem
dispersion correction in plane wave
Started By : Jbaltrus 		1 986 Nov 1st 5:04 pm
Jbaltrus		 NWChem functionality
hnd_opt: no geometry 911 error
Started By : Jbaltrus 		1 1147 Oct 28th 8:29 am
Edoapra		 Running NWChem
kr_malloc failed
Started By : Jbaltrus 		4 1336 Oct 22nd 1:33 am
Jbaltrus		 Running NWChem
IRC calculations
Started By : Jbaltrus 		4 2824 Oct 3rd 3:07 pm
Jbaltrus		 NWChem functionality
difficulty optimizing both cell and coordinates in nwpw
Started By : Jbaltrus 		0 1163 Sep 22nd 1:43 am
Jbaltrus		 Running NWChem
sym_movecs_adapt error
Started By : Jbaltrus 		1 976 Sep 20th 12:27 pm
Jbaltrus		 Running NWChem
VELOCITY in CD calcs
Started By : Jbaltrus 		0 889 Sep 13th 3:12 pm
Jbaltrus		 Running NWChem
disable DFT parameter carryover
Started By : Jbaltrus 		4 1236 Sep 12th 12:02 pm
Jbaltrus		 Running NWChem
ipo: warning #11010: file format not recognized for /opt/intel/bin
Started By : Jbaltrus 		2 2698 Aug 12th 11:26 am
Jbaltrus		 Compiling NWChem
URL not found
Started By : Jbaltrus 		0 764 Aug 12th 11:10 am
Jbaltrus		 General Topics
pressure in thermo calculations
Started By : Jbaltrus 		0 1129 Jun 20th 10:14 pm
Jbaltrus		 NWChem functionality
nwpw optimization wrong
Started By : Jbaltrus 		5 1849 Nov 13th 12:13 am
Jbaltrus		 Running NWChem
unit cell size doubles
Started By : Jbaltrus 		2 1916 Nov 10th 3:06 am
Jbaltrus		 Running NWChem
TDDFT and periodic boundary methods
Started By : Jbaltrus 		1 1244 Aug 3rd 9:02 am
Bert		 NWChem functionality
surface in NWPW or BAND
Started By : Jbaltrus 		0 1228 Apr 13th 10:28 pm
Jbaltrus		 Running NWChem
0:0:dai_write_param: filename too long::: 97
Started By : Jbaltrus 		5 2788 Feb 12th 6:54 am
Jbaltrus		 Running NWChem
TDDFT aborts
Started By : Jbaltrus 		2 1351 Feb 12th 6:52 am
Jbaltrus		 Running NWChem
hybrid functionals with band
Started By : Jbaltrus 		3 1796 Feb 7th 12:36 pm
Bylaska		 NWChem functionality
includestress vs includelattice
Started By : Jbaltrus 		1 1723 Feb 7th 12:30 pm
Bylaska		 General Topics
FREEZE atomic
Started By : Jbaltrus 		1 2093 Feb 5th 10:18 pm
Niri		 NWChem functionality
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