Dear Robert, thanks so much for the advice :). It works :)!
Best regards, Iraida. pon., 29 kwi 2024 o 18:46 Robert Gordon <[email protected]> napisał(a): > Hi, It imported and ran in the stand alone version to produce the feff. > inp attached. Maybe you can proceed with that. Cluster size and core > absorber can be specified. -R. On 2024-04-29 9: 24 a. m. , I. D. wrote: > Dear All, We are studying the gallium > ZjQcmQRYFpfptBannerStart > This Message Is From an External Sender > This message came from outside your organization. > > ZjQcmQRYFpfptBannerEnd > Hi, > > It imported and ran in the stand alone version to produce the feff.inp > attached. Maybe you can proceed with that. > Cluster size and core absorber can be specified. > > > -R. > > On 2024-04-29 9:24 a.m., I. D. wrote: > > Dear All, We are studying the gallium oxide polymorph (gamma phase). The > *. cif file used is in the appendix. After testing this file with the > webatoms program, I believe that there is a limitation of the number of > atoms in the list between > ZjQcmQRYFpfptBannerStart > This Message Is From an External Sender > This message came from outside your organization. > > ZjQcmQRYFpfptBannerEnd > Dear All, > > We are studying the gallium oxide polymorph (gamma phase). The *.cif file > used is in the appendix. After testing this file with the webatoms program, > I believe that there is a limitation of the number of atoms in the list > between between 256 and 299. As can be seen in the *.cif file considered > structure contains 426 atoms. If we try to use the webatoms program to > generate the feff.inp file, error like that appears: > "Internal Server Error > The server encountered an internal error or misconfiguration and was > unable to complete your request. Please contact the server administrator at > root@localhost to inform them of the time this error occurred, and the > actions you performed just before this error. More information about this > error may be available in the server error log." > > Also there is no possibility to change the cluster size and select the > desired absorption atom for generating feff.inp file. > > Can anyone help and explain how to solve the existing problem? > > Best regards, > Iraida. > > > > _______________________________________________ > Ifeffit mailing > [email protected]http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > <https://urldefense.us/v3/__http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit__;!!G_uCfscf7eWS!YvvZnKWreyMxwwznNnG18yQwCxEthI1c1qiMHMxwdN4gZu3LAwGhDNeXaPg_HJ7sv9wSCvc9WsPf7-xT2DeUKFRi0JKfLcOdXAiOXPs$> > Unsubscribe: > https://urldefense.us/v3/__http://millenia.cars.aps.anl.gov/mailman/options/ifeffit__;!!G_uCfscf7eWS!eymQ-HsFi28YEwavEZLsEVh9GLXYq1mfQuFRkAVBDiioCo4yn1XJ-CblnQf69pJMEdI-g1aNX7te7S32CdifbIeKC6qB3B39vJc$ > > <https://urldefense.us/v3/__http://millenia.cars.aps.anl.gov/mailman/options/ifeffit__;!!G_uCfscf7eWS!YvvZnKWreyMxwwznNnG18yQwCxEthI1c1qiMHMxwdN4gZu3LAwGhDNeXaPg_HJ7sv9wSCvc9WsPf7-xT2DeUKFRi0JKfLcOdpdd2Zgs$> > > > _______________________________________________ > Ifeffit mailing list > [email protected] > https://urldefense.us/v3/__http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit__;!!G_uCfscf7eWS!eymQ-HsFi28YEwavEZLsEVh9GLXYq1mfQuFRkAVBDiioCo4yn1XJ-CblnQf69pJMEdI-g1aNX7te7S32CdifbIeKC6qBybqJ00g$ > > Unsubscribe: > https://urldefense.us/v3/__http://millenia.cars.aps.anl.gov/mailman/options/ifeffit__;!!G_uCfscf7eWS!eymQ-HsFi28YEwavEZLsEVh9GLXYq1mfQuFRkAVBDiioCo4yn1XJ-CblnQf69pJMEdI-g1aNX7te7S32CdifbIeKC6qB3B39vJc$ > >
_______________________________________________ Ifeffit mailing list [email protected] http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
