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[求助]
求助EMC计算有效质量的问题~ 已有1人参与
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使用EMC(Effective mass calculator)时候,我的操作是: (1)使用VASP自洽 (2)在EIGENVAL中寻找价带顶(导带底)的坐标 (3)编写inp (4)生成KPOINTS (5)使用软件自带test中的INCAR,刚才自己生成的KPOINTS,自洽中的POSCAR,POTCAR,CHGCAR和脚本进行计算。 test中自带的INCAR里面已经设定了ICHARG=11,我没动,但是计算总是报错: log文件中出现: LDA part: xc-table for Pade appr. of Perdew WARNING: stress and forces are not correct POSCAR, INCAR, and KPOINTS ok, start setup FFT: planning ... WAVECAR not read WARNING: dimensions on CHGCAR file are different ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 ERROR: charge density could not be read from file CHGCAR for ICHARG>10 求助原因啊!!!!!! 为什么不能算啊!!!!!! 为什么 charge density could not be read from file CHGCAR for ICHARG>10啊啊啊!!! 为什么WAVECAR not read啊啊啊!!! |
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2楼2016-10-31 21:11:44
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3楼2016-11-21 08:57:58
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4楼2017-06-12 18:19:04











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