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Displaying 15 results for: Jbaltrus Posts
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no way to perform TS search
Started By : Jbaltrus
1 1295 Oct 11th 12:18 pm
Jbaltrus
Running NWChem
optimization fluctuating and running out of cycles
Started By : Jbaltrus
1 1026 Oct 8th 1:37 pm
Jbaltrus
General Topics
dispersion correction in plane wave
Started By : Jbaltrus
1 1397 Nov 1st 5:04 pm
Jbaltrus
NWChem functionality
kr_malloc failed
Started By : Jbaltrus
4 1750 Oct 22nd 1:33 am
Jbaltrus
Running NWChem
IRC calculations
Started By : Jbaltrus
4 3714 Oct 3rd 3:07 pm
Jbaltrus
NWChem functionality
sym_movecs_adapt error
Started By : Jbaltrus
1 1307 Sep 20th 12:27 pm
Jbaltrus
Running NWChem
disable DFT parameter carryover
Started By : Jbaltrus
4 1631 Sep 12th 12:02 pm
Jbaltrus
Running NWChem
ipo: warning #11010: file format not recognized for /opt/intel/bin
Started By : Jbaltrus
2 3571 Aug 12th 11:26 am
Jbaltrus
Compiling NWChem
nwpw optimization wrong
Started By : Jbaltrus
5 2375 Nov 13th 12:13 am
Jbaltrus
Running NWChem
unit cell size doubles
Started By : Jbaltrus
2 2468 Nov 10th 3:06 am
Jbaltrus
Running NWChem
0:0:dai_write_param: filename too long::: 97
Started By : Jbaltrus
5 3485 Feb 12th 6:54 am
Jbaltrus
Running NWChem
TDDFT aborts
Started By : Jbaltrus
2 1632 Feb 12th 6:52 am
Jbaltrus
Running NWChem
hybrid functionals with band
Started By : Jbaltrus
3 2307 Feb 7th 12:36 pm
Bylaska
NWChem functionality
plane wave and band: why(how) are they different?
Started By : Jbaltrus
3 2141 Jan 30th 4:28 pm
Guest -
General Topics
when is 6.1 out?
Started By : Jbaltrus
3 1974 Jan 29th 2:42 pm
Jbaltrus
General Topics

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