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</o:shapelayout></xml><![endif]--></head><body lang=ZH-CN link=blue vlink=purple style='text-justify-trim:punctuation'><div class=WordSection1><p class=MsoNormal><span lang=EN-US>Dear everyone,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> I tried to create pseudo potential for O and S ( for some uncommon functional ) for later oxides calculation. Before used in the final model, it should be checked. However, for a metallic element, it is easy to create a model with its stable elementary substance and optimized to see its lattice constant as first step verification. However for an element exists as molecule, is it a good method to test the molecule case? Is it enough to use ld1.x test only as first step verification? Thanks.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>------------------------------------------------------------<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>Wu Feng,<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>Chemistry and Molecular Engineering, Peking University<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>------------------------------------------------------------<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div></body></html>