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8 Replies
3666 Views |
March 15, 2022, 09:43:35 AMby prasanta13 |
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Re: eht for ion Rb
Started by yuniawan |
8 Replies
9715 Views |
November 02, 2015, 02:24:45 PM by yuniawan |
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EHT dimension problem
Started by Raffaele Credendino |
7 Replies
12076 Views |
November 15, 2017, 05:23:04 AM by juhidutta |
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How can i read SCF vector
Started by tayed |
6 Replies
8281 Views |
November 06, 2012, 10:59:14 AM by Sam483 |
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User-defined functionals
Started by lien.bentein |
5 Replies
13200 Views |
August 04, 2009, 10:23:53 AM by uwe |
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5 Replies
7561 Views |
September 10, 2018, 09:45:45 PM by uwe |
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frozen core and full core calculations
Started by golden |
4 Replies
7699 Views |
April 06, 2013, 12:26:04 PM by Arnim |
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Define dies with 'Too many atoms'
Started by Arrepiadd |
4 Replies
14006 Views |
April 25, 2008, 10:55:34 AM by Arrepiadd |
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nonadiabatic coupling vector
Started by jzstdo |
4 Replies
11188 Views |
February 15, 2017, 03:34:43 PM by christof.haettig |
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RI-approximation in Turbomole
Started by zahra |
4 Replies
9272 Views |
March 21, 2017, 11:23:53 AM by christof.haettig |
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4 Replies
8946 Views |
April 15, 2008, 06:48:05 PM by sca |
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heavy atoms without ecp
Started by fru14909 |
4 Replies
7206 Views |
March 02, 2021, 12:31:33 PM by Scoops |
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Cerium ECP with 46 core electrons
Started by gpetrova |
4 Replies
8773 Views |
September 27, 2010, 03:51:51 PM by gpetrova |
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4 Replies
6865 Views |
August 23, 2018, 12:28:46 PM by evgeniy |
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4 Replies
6441 Views |
August 15, 2018, 06:15:42 PM by uwe |
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EHT for copper
Started by agnesst |
3 Replies
3816 Views |
September 10, 2020, 07:50:46 PM by uwe |
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ired problem
Started by 175116 |
3 Replies
7932 Views |
November 06, 2010, 09:21:06 PM by 175116 |
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problem in ired
Started by jitmukherjeechem |
3 Replies
7912 Views |
May 22, 2012, 09:55:54 AM by Arnim |
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Up to a million dummy atoms
Started by Zessin |
3 Replies
7401 Views |
November 19, 2010, 11:08:48 AM by uwe |
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system charge
Started by wilhelm |
3 Replies
6191 Views |
November 18, 2010, 06:02:19 PM by christof.haettig |
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