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Displaying 15 results for: Jbaltrus Posts

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Thread Title	Replies	Views	Last Action	Forum
no way to perform TS search Started By : Jbaltrus	1	965	Oct 11th 12:18 pm Jbaltrus	Running NWChem
optimization fluctuating and running out of cycles Started By : Jbaltrus	1	759	Oct 8th 1:37 pm Jbaltrus	General Topics
dispersion correction in plane wave Started By : Jbaltrus	1	980	Nov 1st 5:04 pm Jbaltrus	NWChem functionality
kr_malloc failed Started By : Jbaltrus	4	1329	Oct 22nd 1:33 am Jbaltrus	Running NWChem
IRC calculations Started By : Jbaltrus	4	2814	Oct 3rd 3:07 pm Jbaltrus	NWChem functionality
sym_movecs_adapt error Started By : Jbaltrus	1	974	Sep 20th 12:27 pm Jbaltrus	Running NWChem
disable DFT parameter carryover Started By : Jbaltrus	4	1234	Sep 12th 12:02 pm Jbaltrus	Running NWChem
ipo: warning #11010: file format not recognized for /opt/intel/bin Started By : Jbaltrus	2	2683	Aug 12th 11:26 am Jbaltrus	Compiling NWChem
nwpw optimization wrong Started By : Jbaltrus	5	1842	Nov 13th 12:13 am Jbaltrus	Running NWChem
unit cell size doubles Started By : Jbaltrus	2	1914	Nov 10th 3:06 am Jbaltrus	Running NWChem
0:0:dai_write_param: filename too long::: 97 Started By : Jbaltrus	5	2747	Feb 12th 6:54 am Jbaltrus	Running NWChem
TDDFT aborts Started By : Jbaltrus	2	1347	Feb 12th 6:52 am Jbaltrus	Running NWChem
hybrid functionals with band Started By : Jbaltrus	3	1789	Feb 7th 12:36 pm Bylaska	NWChem functionality
plane wave and band: why(how) are they different? Started By : Jbaltrus	3	1705	Jan 30th 4:28 pm Guest -	General Topics
when is 6.1 out? Started By : Jbaltrus	3	1665	Jan 29th 2:42 pm Jbaltrus	General Topics

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