From owner-chemistry@ccl.net Thu Apr 30 15:20:01 2015 From: "Yingbin Ge yingbin.ge..gmail.com" To: CCL Subject: CCL: How to insert basic set manually in GAMES? Message-Id: <-51332-150430151843-2232-P7cz9bi6aJyZgsJGNef+sw[#]server.ccl.net> X-Original-From: Yingbin Ge Content-Type: multipart/alternative; boundary=001a1134a8b484366c0514f5f6f3 Date: Thu, 30 Apr 2015 12:18:38 -0700 MIME-Version: 1.0 Sent to CCL by: Yingbin Ge [yingbin.ge/./gmail.com] --001a1134a8b484366c0514f5f6f3 Content-Type: text/plain; charset=UTF-8 Shawkat, Here's an GAMESS example of using the MINI basis set for O, the SBKJC(d) basis for P and a user-provided basis set for H: O 8.0 0.0 0.0 0.0 MINI P 15.0 0.0 0.0 2.0 SBKJC D 1 1 0.45 1.0 H 1.0 0.0 1.4 1.09 S 3 1 0.65341 0.817238 2 2.89915 0.231208 3 19.2406 0.032828 S 1 1 0.17758 1.0 P 1 1 1.0 1.0 Sincerely, Yingbin --001a1134a8b484366c0514f5f6f3 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: base64 PGRpdiBkaXI9Imx0ciI+PGRpdj48ZGl2PjxkaXY+U2hhd2thdCw8YnI+PGJyPjwvZGl2PkhlcmUm IzM5O3MgYW4gR0FNRVNTIGV4YW1wbGUgb2YgdXNpbmcgdGhlIE1JTkkgYmFzaXMgc2V0IGZvciBP LCB0aGUgU0JLSkMoZCkgYmFzaXMgZm9yIFAgYW5kIGEgdXNlci1wcm92aWRlZCBiYXNpcyBzZXQg Zm9yIEg6PGJyPjxicj5PwqDCoMKgwqAgOC4wwqAgMC4wIDAuMCAwLjA8YnI+PC9kaXY+PGRpdj5N SU5JPGJyPjwvZGl2PjxkaXY+PGJyPlAgMTUuMMKgwqAgMC4wwqDCoCAwLjDCoMKgIDIuMDxicj7C oMKgIFNCS0pDPGJyPsKgwqAgRCAxPGJyPsKgwqDCoMKgIDEgMC40NSAxLjA8YnI+PGJyPkjCoMKg IDEuMMKgwqDCoMKgwqAgMC4wwqAgMS40wqDCoCAxLjA5PGJyPsKgIFPCoMKgwqAgMzxicj7CoMKg wqAgMcKgwqAgMC42NTM0McKgwqDCoMKgwqDCoMKgwqDCoCAwLjgxNzIzODxicj7CoMKgwqAgMsKg wqAgMi44OTkxNcKgwqDCoMKgwqDCoMKgwqDCoCAwLjIzMTIwODxicj7CoMKgwqAgM8KgIDE5LjI0 MDbCoMKgwqDCoMKgwqDCoMKgwqDCoCAwLjAzMjgyODxicj7CoCBTwqDCoMKgIDE8YnI+wqDCoMKg IDHCoMKgIDAuMTc3NTjCoMKgwqDCoMKgwqDCoMKgwqAgMS4wPGJyPsKgIFDCoMKgwqAgMTxicj7C oMKgwqAgMcKgwqAgMS4wwqDCoMKgwqDCoMKgwqDCoMKgwqDCoMKgwqAgMS4wPGJyPjxicj48L2Rp dj5TaW5jZXJlbHksPGJyPjwvZGl2PllpbmdiaW48YnI+PC9kaXY+DQo= --001a1134a8b484366c0514f5f6f3--