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Displaying 15 results for: Jbaltrus Posts
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no way to perform TS search
Started By : Jbaltrus
1 1103 Oct 11th 11:18 am
Jbaltrus
Running NWChem
optimization fluctuating and running out of cycles
Started By : Jbaltrus
1 878 Oct 8th 12:37 pm
Jbaltrus
General Topics
dispersion correction in plane wave
Started By : Jbaltrus
1 1123 Nov 1st 4:04 pm
Jbaltrus
NWChem functionality
kr_malloc failed
Started By : Jbaltrus
4 1496 Oct 22nd 12:33 am
Jbaltrus
Running NWChem
IRC calculations
Started By : Jbaltrus
4 3214 Oct 3rd 2:07 pm
Jbaltrus
NWChem functionality
sym_movecs_adapt error
Started By : Jbaltrus
1 1127 Sep 20th 11:27 am
Jbaltrus
Running NWChem
disable DFT parameter carryover
Started By : Jbaltrus
4 1413 Sep 12th 11:02 am
Jbaltrus
Running NWChem
ipo: warning #11010: file format not recognized for /opt/intel/bin
Started By : Jbaltrus
2 3123 Aug 12th 10:26 am
Jbaltrus
Compiling NWChem
nwpw optimization wrong
Started By : Jbaltrus
5 2117 Nov 12th 11:13 pm
Jbaltrus
Running NWChem
unit cell size doubles
Started By : Jbaltrus
2 2176 Nov 10th 2:06 am
Jbaltrus
Running NWChem
0:0:dai_write_param: filename too long::: 97
Started By : Jbaltrus
5 3143 Feb 12th 5:54 am
Jbaltrus
Running NWChem
TDDFT aborts
Started By : Jbaltrus
2 1456 Feb 12th 5:52 am
Jbaltrus
Running NWChem
hybrid functionals with band
Started By : Jbaltrus
3 1989 Feb 7th 11:36 am
Bylaska
NWChem functionality
plane wave and band: why(how) are they different?
Started By : Jbaltrus
3 1907 Jan 30th 3:28 pm
Guest -
General Topics
when is 6.1 out?
Started By : Jbaltrus
3 1816 Jan 29th 1:42 pm
Jbaltrus
General Topics

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