| Subject / Started by | Replies / Views ![]() |
Last post | ||
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Fragment Multiplicity
Started by Ian K |
0 Replies
22351 Views |
by Ian K |
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gridsize and scfconv
Started by mboehme |
1 Replies
22587 Views |
by Hauke |
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3 Replies
22652 Views |
by antti_karttunen |
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2 Replies
23175 Views |
by evgeniy |
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setting ECPs: define vs TmoleX
Started by ekirillov |
1 Replies
23304 Views |
by christof.haettig |
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Using define without changing angles
Started by AndrijaG |
1 Replies
23460 Views |
by christof.haettig |
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The use command
Started by Sam483 |
2 Replies
23582 Views |
by Arnim |
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problem in ired
Started by jitmukherjeechem |
3 Replies
23646 Views |
by Arnim |
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Auxilary (cbas
Started by evgeniy |
1 Replies
23788 Views |
by antti_karttunen |
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ired problem
Started by 175116 |
3 Replies
23859 Views |
by 175116 |
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0 Replies
23898 Views |
by wuhen |
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Starting mos for supermolecule
Started by Robin1991 |
1 Replies
24190 Views |
by uwe |
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desy and eps units
Started by lopez |
1 Replies
24332 Views |
by andreas |
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start mos without define
Started by tmartin |
1 Replies
24499 Views |
by Arnim |
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How to use "scanprep" script?
Started by ztehrani |
1 Replies
24546 Views |
by Arnim |
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1 Replies
24585 Views |
by Arnim |
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1 Replies
24737 Views |
by uwe |
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frozen core and full core calculations
Started by golden |
4 Replies
25063 Views |
by Arnim |
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Turbomole parallel error
Started by kshatresh |
1 Replies
25075 Views |
by uwe |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
25079 Views |
by ali.raza1989 |
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